Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid
TL;DR: Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid (CAS 60608-99-3) is a chemical compound with molecular formula C18H26O10 and molecular weight 402.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid
Also Known As: (C8-H6-O4.C6-H10-O4.C4-H10-O2)x-, 1,3-Benzenedicarboxylic acid, polymer with 1,4-butanediol and hexanedioic acid, Adipic acid, isophthalic acid, 1,4 butanediol polyester, benzene-1,3-dicarboxylic acid; butane-1,4-diol; hexanedioic acid
| Molecular Formula | C18H26O10 |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 1.5502 |
| Topological Polar Surface Area | 189.66 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 402.1526 |
| Heavy Atoms | 28 |
| Complexity | 562.8888 |
Chemical Identifiers
| CAS Number | 60608-99-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O.C(CCO)CO |
Product Overview
Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid (CAS 60608-99-3), with molecular formula C18H26O10 and molecular weight 402.15 g/mol. IUPAC: benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid.
Chemical Property Profile of Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid
Property Insights of Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid
The XLogP value of 1.5502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid. The TPSA of 189.66 Ų indicates high polarity, suggesting Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid has 6 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid?
The CAS number of Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid is 60608-99-3.
What is the molecular formula of Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid?
The molecular formula of Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid is C18H26O10.
What is the molecular weight of Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid?
The molecular weight of Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid is 402.15 g/mol.
Where can I buy Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid?
You can request a quote for Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,3-dicarboxylic acid;butane-1,4-diol;hexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.