Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer
TL;DR: Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer (CAS 52004-58-7) is a chemical compound with molecular formula C34H64N4O8 and molecular weight 656.47 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;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Also Known As: Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer, (C12-H18-N2-O2.C10-H22-N2.C6-H14-O2.C6-H10-O4)x-, Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 1,6-hexanediol and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine; hexanedioic acid; hexane-1,6-diol; 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane, Hexanedioic acid, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 1,6-hexanediol and 5-isocyanato-1-(isocyanatomethyl) -1,3,3-trimethylcyclohexane
| Molecular Formula | C34H64N4O8 |
|---|---|
| Molecular Weight | 656.47 g/mol |
| LogP | 4.9792 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 656.4724 |
| Heavy Atoms | 46 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 52004-58-7 |
|---|---|
| SMILES | CC1(CC(CC(C1)(C)CN)N)C.CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C.C(CCCO)CCO.C(CCC(=O)O)CC(=O)O |
| InChIKey | CJCPABRMBYUAQN-UHFFFAOYSA-N |
Product Overview
Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer (CAS 52004-58-7), with molecular formula C34H64N4O8 and molecular weight 656.47 g/mol. IUPAC: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;hexanedioic acid;hexane-1,6-diol;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane.
Chemical Property Profile of Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer
Property Insights of Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer
The XLogP value of 4.9792 indicates that Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 226.0 Ų indicates high polarity, suggesting Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer?
The CAS number of Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer is 52004-58-7.
What is the molecular formula of Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer?
The molecular formula of Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer is C34H64N4O8.
What is the molecular weight of Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer?
The molecular weight of Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer is 656.47 g/mol.
Where can I buy Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer?
You can request a quote for Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer?
Yes, KEHONG BIO provides custom synthesis services for Adipic acid, 1,6-hexanediol, isophorone diisocyanate, isophoronediamine polymer and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.