Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester
TL;DR: Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester (CAS 162215-96-5) is a chemical compound with molecular formula C14H26O7S and molecular weight 338.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis(3-methylbutoxy)-1,4-dioxobutane-2-sulfonic acid
Also Known As: Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester, 1,2-bis(3-methylbutoxycarbonyl)ethanesulfonic Acid, 1,4-bis(3-methylbutoxy)-1,4-dioxobutane-2-sulfonic acid
| Molecular Formula | C14H26O7S |
|---|---|
| Molecular Weight | 338.14 g/mol |
| LogP | 1.8115 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 338.13992 |
| Heavy Atoms | 22 |
| Complexity | 453.8118 |
Chemical Identifiers
| CAS Number | 162215-96-5 |
|---|---|
| SMILES | CC(C)CCOC(=O)CC(C(=O)OCCC(C)C)S(=O)(=O)O |
Product Overview
Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester (CAS 162215-96-5), with molecular formula C14H26O7S and molecular weight 338.14 g/mol. IUPAC: 1,4-bis(3-methylbutoxy)-1,4-dioxobutane-2-sulfonic acid.
Chemical Property Profile of Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester
Property Insights of Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester
The XLogP value of 1.8115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester. Following Lipinski's Rule of Five, Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester has 1 hydrogen bond donor(s) and 6 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 Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester?
The CAS number of Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester is 162215-96-5.
What is the molecular formula of Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester?
The molecular formula of Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester is C14H26O7S.
What is the molecular weight of Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester?
The molecular weight of Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester is 338.14 g/mol.
Where can I buy Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester?
You can request a quote for Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, sulfo-, 1,4-bis(3-methylbutyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.