AB00107813-01
TL;DR: AB00107813-01 (CAS 426221-80-9) is a chemical compound with molecular formula C22H15ClN4O4S and molecular weight 466.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide
Also Known As: AB00107813-01, N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide, N-{[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-2-nitrobenzamide, N-[[3-(5-chlorobenzooxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-nitro-benzamide
| Molecular Formula | C22H15ClN4O4S |
|---|---|
| Molecular Weight | 466.05 g/mol |
| LogP | 5.49162 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.05026 |
| Heavy Atoms | 32 |
| Complexity | 1385.626 |
Chemical Identifiers
| CAS Number | 426221-80-9 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl |
Product Overview
AB00107813-01 (CAS 426221-80-9), with molecular formula C22H15ClN4O4S and molecular weight 466.05 g/mol. IUPAC: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-nitrobenzamide.
Chemical Property Profile of AB00107813-01
Property Insights of AB00107813-01
The XLogP value of 5.49162 indicates that AB00107813-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.3 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00107813-01. Following Lipinski's Rule of Five, AB00107813-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00107813-01?
The CAS number of AB00107813-01 is 426221-80-9.
What is the molecular formula of AB00107813-01?
The molecular formula of AB00107813-01 is C22H15ClN4O4S.
What is the molecular weight of AB00107813-01?
The molecular weight of AB00107813-01 is 466.05 g/mol.
Where can I buy AB00107813-01?
You can request a quote for AB00107813-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00107813-01?
Yes, KEHONG BIO provides custom synthesis services for AB00107813-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.