Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester
TL;DR: Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester (CAS 20975-58-0) is a chemical compound with molecular formula C9H10BrNS2 and molecular weight 274.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(4-bromo-3-methylphenyl)carbamodithioate
Also Known As: Methyl 4-bromo-3-methyldithiocarbanilate, 4-Bromo-3-methyldithiocarbanilic acid methyl ester, CARBANILIC ACID, 4-BROMO-3-METHYLDITHIO-, METHYL ESTER, methyl N-(4-bromo-3-methylphenyl)carbamodithioate, Methyl (4-bromo-3-methylphenyl)carbamodithioate
| Molecular Formula | C9H10BrNS2 |
|---|---|
| Molecular Weight | 274.94 g/mol |
| LogP | 3.81732 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.9438 |
| Heavy Atoms | 13 |
| Complexity | 325.39078 |
Chemical Identifiers
| CAS Number | 20975-58-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=S)SC)Br |
Product Overview
Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester (CAS 20975-58-0), with molecular formula C9H10BrNS2 and molecular weight 274.94 g/mol. IUPAC: methyl N-(4-bromo-3-methylphenyl)carbamodithioate.
Chemical Property Profile of Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester
Property Insights of Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester
The XLogP value of 3.81732 indicates that Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester has 1 hydrogen bond donor(s) and 2 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 Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester?
The CAS number of Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester is 20975-58-0.
What is the molecular formula of Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester?
The molecular formula of Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester is C9H10BrNS2.
What is the molecular weight of Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester?
The molecular weight of Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester is 274.94 g/mol.
Where can I buy Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester?
You can request a quote for Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 4-bromo-3-methyldithio-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.