![2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid structure](/static/products/926/92656-09-2.png)
2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid
TL;DR: 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid (CAS 92656-09-2) is a chemical compound with molecular formula C15H20O5S and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-butoxyphenyl)methylsulfanyl]butanedioic acid
Also Known As: 2-((4-butoxybenzyl)thio)succinic acid, 2-[(4-butoxybenzyl)sulfanyl]butanedioic acid, 2-[(4-butoxyphenyl)methylsulfanyl]butanedioic acid
| Molecular Formula | C15H20O5S |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 312.10315 |
| Heavy Atoms | 21 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 92656-09-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)CSC(CC(=O)O)C(=O)O |
| InChIKey | JPOAUGJNFIWTJB-UHFFFAOYSA-N |
Product Overview
2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid (CAS 92656-09-2), with molecular formula C15H20O5S and molecular weight 312.10 g/mol. IUPAC: 2-[(4-butoxyphenyl)methylsulfanyl]butanedioic acid.
Chemical Property Profile of 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid
Property Insights of 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid. Following Lipinski's Rule of Five, 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid has 2 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 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid?
The CAS number of 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid is 92656-09-2.
What is the molecular formula of 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid?
The molecular formula of 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid is C15H20O5S.
What is the molecular weight of 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid?
The molecular weight of 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid is 312.10 g/mol.
Where can I buy 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid?
You can request a quote for 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Butoxybenzyl)sulfanyl]butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.