AB00108377-01
TL;DR: AB00108377-01 (CAS 428473-52-3) is a chemical compound with molecular formula C23H17ClN4O4S and molecular weight 480.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-nitrobenzamide
Also Known As: AB00108377-01, N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-nitrobenzamide, N-{[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-nitrobenzamide
| Molecular Formula | C23H17ClN4O4S |
|---|---|
| Molecular Weight | 480.07 g/mol |
| LogP | 5.7456 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.06592 |
| Heavy Atoms | 33 |
| Complexity | 1402.4978 |
Chemical Identifiers
| CAS Number | 428473-52-3 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-])Cl |
Product Overview
AB00108377-01 (CAS 428473-52-3), with molecular formula C23H17ClN4O4S and molecular weight 480.07 g/mol. IUPAC: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-nitrobenzamide.
Chemical Property Profile of AB00108377-01
Property Insights of AB00108377-01
The XLogP value of 5.7456 indicates that AB00108377-01 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 AB00108377-01. Following Lipinski's Rule of Five, AB00108377-01 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 AB00108377-01?
The CAS number of AB00108377-01 is 428473-52-3.
What is the molecular formula of AB00108377-01?
The molecular formula of AB00108377-01 is C23H17ClN4O4S.
What is the molecular weight of AB00108377-01?
The molecular weight of AB00108377-01 is 480.07 g/mol.
Where can I buy AB00108377-01?
You can request a quote for AB00108377-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00108377-01?
Yes, KEHONG BIO provides custom synthesis services for AB00108377-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.