Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester
TL;DR: Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester (CAS 7220-28-2) is a chemical compound with molecular formula C9H9BrClNS2 and molecular weight 308.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-bromo-3-chlorophenyl)carbamodithioate
Also Known As: Ethyl 4-bromo-3-chlorodithiocarbanilate, 4-Bromo-3-chlorodithiocarbanilic acid ethyl ester, ethyl N-(4-bromo-3-chlorophenyl)carbamodithioate, CARBANILIC ACID, 4-BROMO-3-CHLORODITHIO-, ETHYL ESTER, S-Aethyl-N-(3-chlor-4-brom-phenyl)-dithiocarbamat
| Molecular Formula | C9H9BrClNS2 |
|---|---|
| Molecular Weight | 308.90 g/mol |
| LogP | 4.5524 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.90482 |
| Heavy Atoms | 14 |
| Complexity | 343.5839 |
Chemical Identifiers
| CAS Number | 7220-28-2 |
|---|---|
| SMILES | CCSC(=S)NC1=CC(=C(C=C1)Br)Cl |
Product Overview
Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester (CAS 7220-28-2), with molecular formula C9H9BrClNS2 and molecular weight 308.90 g/mol. IUPAC: ethyl N-(4-bromo-3-chlorophenyl)carbamodithioate.
Chemical Property Profile of Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester
Property Insights of Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester
The XLogP value of 4.5524 indicates that Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl 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-chlorodithio-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl 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-chlorodithio-, ethyl ester?
The CAS number of Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester is 7220-28-2.
What is the molecular formula of Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester?
The molecular formula of Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester is C9H9BrClNS2.
What is the molecular weight of Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester?
The molecular weight of Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester is 308.90 g/mol.
Where can I buy Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester?
You can request a quote for Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl 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-chlorodithio-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 4-bromo-3-chlorodithio-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.