Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
TL;DR: Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS 69725-60-6) is a chemical compound with molecular formula C49H86N4O15 and molecular weight 970.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;2-benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Also Known As: Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, (C12-H18-N2-O2.C10-H22-N2.C8-H4-O3.C6-H14-O2.C6-H10-O4.C5-H12-O2.C2-H6-O2)x-, 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; 2-benzofuran-1,3-dione; 2,2-dimethylpropane-1,3-diol; ethane-1,2-diol; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane
| Molecular Formula | C49H86N4O15 |
|---|---|
| Molecular Weight | 970.61 g/mol |
| LogP | 4.9446 |
| Topological Polar Surface Area | 350.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 17 |
| Exact Mass | 970.60895 |
| Heavy Atoms | 68 |
| Complexity | 900.0 |
Chemical Identifiers
| CAS Number | 69725-60-6 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN)N)C.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.CC(C)(CO)CO.C1=CC=C2C(=C1)C(=O)OC2=O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O.C(CO)O |
| InChIKey | ILDSSIMTDAKJDD-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (CAS 69725-60-6), with molecular formula C49H86N4O15 and molecular weight 970.61 g/mol. IUPAC: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;2-benzofuran-1,3-dione;2,2-dimethylpropane-1,3-diol;ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane.
Chemical Property Profile of Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Property Insights of Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
The XLogP value of 4.9446 indicates that Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 350.0 Ų indicates high polarity, suggesting Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane has 10 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
The CAS number of Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane is 69725-60-6.
What is the molecular formula of Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
The molecular formula of Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane is C49H86N4O15.
What is the molecular weight of Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
The molecular weight of Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane is 970.61 g/mol.
Where can I buy Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
You can request a quote for Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol, 1,6-hexanediol, 1,3-isobenzofurandione and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.