![2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid structure](/static/products/851/851176-62-0.png)
2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid
TL;DR: 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid (CAS 851176-62-0) is a chemical compound with molecular formula C11H11Br2NO3S and molecular weight 394.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-({[(2,6-dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid, 2-[(2,6-dibromo-4-methyl-phenyl)carbamoylmethylsulfanyl]acetic Acid, 2-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]sulfanylacetic acid, 2-{[N-(2,6-dibromo-4-methylphenyl)carbamoyl]methylthio}acetic acid
| Molecular Formula | C11H11Br2NO3S |
|---|---|
| Molecular Weight | 394.88 g/mol |
| LogP | 3.27632 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.88263 |
| Heavy Atoms | 18 |
| Complexity | 456.3513 |
Chemical Identifiers
| CAS Number | 851176-62-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Br)NC(=O)CSCC(=O)O)Br |
Product Overview
2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid (CAS 851176-62-0), with molecular formula C11H11Br2NO3S and molecular weight 394.88 g/mol. IUPAC: 2-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid
Property Insights of 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid
The XLogP value of 3.27632 indicates that 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid. Following Lipinski's Rule of Five, 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)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-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid?
The CAS number of 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid is 851176-62-0.
What is the molecular formula of 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid?
The molecular formula of 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid is C11H11Br2NO3S.
What is the molecular weight of 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid?
The molecular weight of 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid is 394.88 g/mol.
Where can I buy 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid?
You can request a quote for 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}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-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({[(2,6-Dibromo-4-methylphenyl)carbamoyl]methyl}sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.