![2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid structure](/static/products/3390/339014-90-3.webp)
2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid
TL;DR: 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid (CAS 339014-90-3) is a chemical compound with molecular formula C13H15Cl2NO4S and molecular weight 351.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-{[2-(2,4-dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid, 7L-328S, 2-[({[2,4-dichloro-5-(propan-2-yloxy)phenyl]carbamoyl}methyl)sulfanyl]acetic acid, 2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfanylacetic acid, ({[(2,4-dichloro-5-isopropoxyphenyl)carbamoyl]methyl}sulfanyl)acetic acid
| Molecular Formula | C13H15Cl2NO4S |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 3.5369 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 351.0099 |
| Heavy Atoms | 21 |
| Complexity | 537.1477 |
Chemical Identifiers
| CAS Number | 339014-90-3 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C(=C1)NC(=O)CSCC(=O)O)Cl)Cl |
Product Overview
2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid (CAS 339014-90-3), with molecular formula C13H15Cl2NO4S and molecular weight 351.01 g/mol. IUPAC: 2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid
Property Insights of 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid
The XLogP value of 3.5369 indicates that 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic 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-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid?
The CAS number of 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid is 339014-90-3.
What is the molecular formula of 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid?
The molecular formula of 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid is C13H15Cl2NO4S.
What is the molecular weight of 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid?
The molecular weight of 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid is 351.01 g/mol.
Where can I buy 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid?
You can request a quote for 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic 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-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(2,4-Dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.