AB00108213-01
TL;DR: AB00108213-01 (CAS 428466-82-4) is a chemical compound with molecular formula C23H18BrN3O3S and molecular weight 495.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
Also Known As: AB00108213-01, N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide, N-{[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-5-bromo-2-methoxybenzamide
| Molecular Formula | C23H18BrN3O3S |
|---|---|
| Molecular Weight | 495.03 g/mol |
| LogP | 5.70112 |
| Topological Polar Surface Area | 76.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 495.02524 |
| Heavy Atoms | 31 |
| Complexity | 1269.4713 |
Chemical Identifiers
| CAS Number | 428466-82-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC)C3=NC4=CC=CC=C4O3 |
Product Overview
AB00108213-01 (CAS 428466-82-4), with molecular formula C23H18BrN3O3S and molecular weight 495.03 g/mol. IUPAC: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromo-2-methoxybenzamide.
Chemical Property Profile of AB00108213-01
Property Insights of AB00108213-01
The XLogP value of 5.70112 indicates that AB00108213-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00108213-01. Following Lipinski's Rule of Five, AB00108213-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00108213-01?
The CAS number of AB00108213-01 is 428466-82-4.
What is the molecular formula of AB00108213-01?
The molecular formula of AB00108213-01 is C23H18BrN3O3S.
What is the molecular weight of AB00108213-01?
The molecular weight of AB00108213-01 is 495.03 g/mol.
Where can I buy AB00108213-01?
You can request a quote for AB00108213-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00108213-01?
Yes, KEHONG BIO provides custom synthesis services for AB00108213-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.