Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid
TL;DR: Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid (CAS 55231-08-8) is a chemical compound with molecular formula C20H30O10 and molecular weight 430.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid
Also Known As: 1,4-Benzenedicarboxylic acid, 1,4-dimethyl ester, polymer with 1,4-butanediol and hexanedioic acid, 1,4-Benzenedicarboxylic acid, dimethyl ester, polymer with 1,4-butanediol and hexanedioic acid, butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid, (C10-H10-O4.C6-H10-O4.C4-H10-O2)x-, 1,4-Butanediol, dimethyl terephthalate, adipic acid polymer
| Molecular Formula | C20H30O10 |
|---|---|
| Molecular Weight | 430.18 g/mol |
| LogP | 1.727 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 430.1839 |
| Heavy Atoms | 30 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 55231-08-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OC.C(CCC(=O)O)CC(=O)O.C(CCO)CO |
| InChIKey | VNEFBZQXKCJMOC-UHFFFAOYSA-N |
Product Overview
Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid (CAS 55231-08-8), with molecular formula C20H30O10 and molecular weight 430.18 g/mol. IUPAC: butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid.
Chemical Property Profile of Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid
Property Insights of Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid
The XLogP value of 1.727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid. The TPSA of 168.0 Ų indicates high polarity, suggesting Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid 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 Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid?
The CAS number of Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid is 55231-08-8.
What is the molecular formula of Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid?
The molecular formula of Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid is C20H30O10.
What is the molecular weight of Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid?
The molecular weight of Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid is 430.18 g/mol.
Where can I buy Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid?
You can request a quote for Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,4-diol;dimethyl benzene-1,4-dicarboxylate;hexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.