![[(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid structure](/static/products/4129/412922-07-7.webp)
[(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid
TL;DR: [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid (CAS 412922-07-7) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylacetic acid
Also Known As: [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid, 5-hydroxy-2-methylbenzimidazole, 2912AE, [ -METHYLSULFANYL]-ACETICACID, BAS 02992742
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 2.05974 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 431.75897 |
Chemical Identifiers
| CAS Number | 412922-07-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSCC(=O)O)C |
Product Overview
[(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid (CAS 412922-07-7), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: 2-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid
Property Insights of [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid
The XLogP value of 2.05974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid. Following Lipinski's Rule of Five, [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid has 2 hydrogen bond donor(s) and 3 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 [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid?
The CAS number of [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid is 412922-07-7.
What is the molecular formula of [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid?
The molecular formula of [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid is C12H15NO3S.
What is the molecular weight of [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid?
The molecular weight of [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid is 253.08 g/mol.
Where can I buy [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid?
You can request a quote for [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(2,3-Dimethyl-phenylcarbamoyl)-methylsulfanyl]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.