![1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] structure](/static/products/6820/68201-91-2.webp)
1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane]
TL;DR: 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] (CAS 68201-91-2) is a chemical compound with molecular formula C45H74N4O12 and molecular weight 862.53 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;benzene-1,3-dicarboxylic acid;hexanedioic acid;hexane-1,6-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
Also Known As: 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane], (C15-H22-N2-O2.C10-H22-N2.C8-H6-O4.C6-H14-O2.C6-H10-O4)x-, 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis(4-isocyanatocyclohexane), 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; benzene-1,3-dicarboxylic acid; hexanedioic acid; hexane-1,6-diol; 1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane, Poly(1,6-hexanediol adipate isophthalate), isophoronediamine, 4,4'-methylenebis(cyclohexylisocyanate) polymer
| Molecular Formula | C45H74N4O12 |
|---|---|
| Molecular Weight | 862.53 g/mol |
| LogP | 6.9849 |
| Topological Polar Surface Area | 301.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Exact Mass | 862.53033 |
| Heavy Atoms | 61 |
| Complexity | 821.0 |
Chemical Identifiers
| CAS Number | 68201-91-2 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN)N)C.C1CC(CCC1CC2CCC(CC2)N=C=O)N=C=O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O |
| InChIKey | WJRQNKCFFSEQPS-UHFFFAOYSA-N |
Product Overview
1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] (CAS 68201-91-2), with molecular formula C45H74N4O12 and molecular weight 862.53 g/mol. IUPAC: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;benzene-1,3-dicarboxylic acid;hexanedioic acid;hexane-1,6-diol;1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane.
Chemical Property Profile of 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane]
Property Insights of 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane]
The XLogP value of 6.9849 indicates that 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 301.0 Ų indicates high polarity, suggesting 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane]?
The CAS number of 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] is 68201-91-2.
What is the molecular formula of 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane]?
The molecular formula of 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] is C45H74N4O12.
What is the molecular weight of 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane]?
The molecular weight of 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] is 862.53 g/mol.
Where can I buy 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane]?
You can request a quote for 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane]?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenedicarboxylic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, hexanedioic acid, 1,6-hexanediol and 1,1'-methylenebis[4-isocyanatocyclohexane] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.