AB00109402-01
TL;DR: AB00109402-01 (CAS 428829-79-2) is a chemical compound with molecular formula C19H17BrN2O2S and molecular weight 416.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
Also Known As: AB00109402-01, N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide, N-[(4-bromo-2,6-dimethyl-phenyl)thiocarbamoyl]-3-methyl-benzofuran-2-carboxamide
| Molecular Formula | C19H17BrN2O2S |
|---|---|
| Molecular Weight | 416.02 g/mol |
| LogP | 5.24736 |
| Topological Polar Surface Area | 54.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.0194 |
| Heavy Atoms | 25 |
| Complexity | 971.2479 |
Chemical Identifiers
| CAS Number | 428829-79-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C)C)Br |
Product Overview
AB00109402-01 (CAS 428829-79-2), with molecular formula C19H17BrN2O2S and molecular weight 416.02 g/mol. IUPAC: N-[(4-bromo-2,6-dimethylphenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of AB00109402-01
Property Insights of AB00109402-01
The XLogP value of 5.24736 indicates that AB00109402-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.27 Ų, AB00109402-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00109402-01 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00109402-01?
The CAS number of AB00109402-01 is 428829-79-2.
What is the molecular formula of AB00109402-01?
The molecular formula of AB00109402-01 is C19H17BrN2O2S.
What is the molecular weight of AB00109402-01?
The molecular weight of AB00109402-01 is 416.02 g/mol.
Where can I buy AB00109402-01?
You can request a quote for AB00109402-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109402-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109402-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.