Butane-1,3-diol;hexanedioic acid;terephthalic acid
TL;DR: Butane-1,3-diol;hexanedioic acid;terephthalic acid (CAS 41222-49-5) 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.
butane-1,3-diol;hexanedioic acid;terephthalic acid
Also Known As: (C8-H6-O4.C6-H10-O4.C4-H10-O2)x-, butane-1,3-diol; hexanedioic acid; terephthalic acid, Terephthalic acid, 1,3-butylene glycol, adipic acid polymer, 1,4-Benzenedicarboxylic acid, polymer with 1,3-butanediol and hexanedioic acid
| Molecular Formula | C18H26O10 |
|---|---|
| Molecular Weight | 402.15 g/mol |
| LogP | 1.5486 |
| Topological Polar Surface Area | 189.66 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 402.1526 |
| Heavy Atoms | 28 |
| Complexity | 558.29724 |
Chemical Identifiers
| CAS Number | 41222-49-5 |
|---|---|
| SMILES | CC(CCO)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C(CCC(=O)O)CC(=O)O |
Product Overview
Butane-1,3-diol;hexanedioic acid;terephthalic acid (CAS 41222-49-5), with molecular formula C18H26O10 and molecular weight 402.15 g/mol. IUPAC: butane-1,3-diol;hexanedioic acid;terephthalic acid.
Chemical Property Profile of Butane-1,3-diol;hexanedioic acid;terephthalic acid
Property Insights of Butane-1,3-diol;hexanedioic acid;terephthalic acid
The XLogP value of 1.5486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane-1,3-diol;hexanedioic acid;terephthalic acid. The TPSA of 189.66 Ų indicates high polarity, suggesting Butane-1,3-diol;hexanedioic acid;terephthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butane-1,3-diol;hexanedioic acid;terephthalic 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 Butane-1,3-diol;hexanedioic acid;terephthalic acid?
The CAS number of Butane-1,3-diol;hexanedioic acid;terephthalic acid is 41222-49-5.
What is the molecular formula of Butane-1,3-diol;hexanedioic acid;terephthalic acid?
The molecular formula of Butane-1,3-diol;hexanedioic acid;terephthalic acid is C18H26O10.
What is the molecular weight of Butane-1,3-diol;hexanedioic acid;terephthalic acid?
The molecular weight of Butane-1,3-diol;hexanedioic acid;terephthalic acid is 402.15 g/mol.
Where can I buy Butane-1,3-diol;hexanedioic acid;terephthalic acid?
You can request a quote for Butane-1,3-diol;hexanedioic acid;terephthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane-1,3-diol;hexanedioic acid;terephthalic acid?
Yes, KEHONG BIO provides custom synthesis services for Butane-1,3-diol;hexanedioic acid;terephthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.