![2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid structure](/static/products/3390/339099-42-2.webp)
2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid
TL;DR: 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid (CAS 339099-42-2) is a chemical compound with molecular formula C13H11Cl2NO4S and molecular weight 346.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,4-dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid
Also Known As: 8L-335S, 2-[2-(2,4-dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid, 2-({2-[2,4-dichloro-5-(2-propynyloxy)anilino]-2-oxoethyl}sulfanyl)acetic acid, 2-[({[2,4-dichloro-5-(prop-2-yn-1-yloxy)phenyl]carbamoyl}methyl)sulfanyl]acetic acid, 2-[(2,4-dichloro-5-prop-2-ynoxy-phenyl)carbamoylmethylsulfanyl]acetic Acid
| Molecular Formula | C13H11Cl2NO4S |
|---|---|
| Molecular Weight | 346.98 g/mol |
| LogP | 2.7617 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.97858 |
| Heavy Atoms | 21 |
| Complexity | 586.26935 |
Chemical Identifiers
| CAS Number | 339099-42-2 |
|---|---|
| SMILES | C#CCOC1=C(C=C(C(=C1)NC(=O)CSCC(=O)O)Cl)Cl |
Product Overview
2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid (CAS 339099-42-2), with molecular formula C13H11Cl2NO4S and molecular weight 346.98 g/mol. IUPAC: 2-[2-(2,4-dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid
Property Insights of 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid
The XLogP value of 2.7617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid. Following Lipinski's Rule of Five, 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid has 2 hydrogen bond donor(s) and 4 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-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid?
The CAS number of 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid is 339099-42-2.
What is the molecular formula of 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid?
The molecular formula of 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid is C13H11Cl2NO4S.
What is the molecular weight of 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid?
The molecular weight of 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid is 346.98 g/mol.
Where can I buy 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid?
You can request a quote for 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(2,4-Dichloro-5-prop-2-ynoxyanilino)-2-oxoethyl]sulfanylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.