Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol
TL;DR: Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol (CAS 9052-53-3) is a chemical compound with molecular formula C17H22N2O8 and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diisocyanato-2-methylbenzene;ethane-1,2-diol;hexanedioic acid
Also Known As: Benzene,1,3-diisocyanatomethyl-,trimer, Ethylene glycol, adipic acid, toluene diisocyanate polymer, Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol, Toluene diisocyanate, ethylene glycol adipate polymer, Poly(ethylene adipate), toluene diisocyanate prepolymer
| Molecular Formula | C17H22N2O8 |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 1.61662 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.1376 |
| Heavy Atoms | 27 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 9052-53-3 |
|---|---|
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CO)O |
| InChIKey | JVJZZZCSRUVPQG-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol (CAS 9052-53-3), with molecular formula C17H22N2O8 and molecular weight 382.14 g/mol. IUPAC: 1,3-diisocyanato-2-methylbenzene;ethane-1,2-diol;hexanedioic acid.
Chemical Property Profile of Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol
Property Insights of Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol
The XLogP value of 1.61662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol. The TPSA of 174.0 Ų indicates high polarity, suggesting Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol?
The CAS number of Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol is 9052-53-3.
What is the molecular formula of Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol?
The molecular formula of Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol is C17H22N2O8.
What is the molecular weight of Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol?
The molecular weight of Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol is 382.14 g/mol.
Where can I buy Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol?
You can request a quote for Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol 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 1,3-diisocyanatomethylbenzene and 1,2-ethanediol?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, polymer with 1,3-diisocyanatomethylbenzene and 1,2-ethanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.