AB00108730-01
TL;DR: AB00108730-01 (CAS 428491-83-2) is a chemical compound with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-nitrobenzamide
Also Known As: AB00108730-01, N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-nitrobenzamide, N-{[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-2-nitrobenzamide, N-[[2-methyl-5-(6-methylbenzooxazol-2-yl)phenyl]thiocarbamoyl]-2-nitro-benzamide
| Molecular Formula | C23H18N4O4S |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 5.14664 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1049 |
| Heavy Atoms | 32 |
| Complexity | 1379.6915 |
Chemical Identifiers
| CAS Number | 428491-83-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
AB00108730-01 (CAS 428491-83-2), with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol. IUPAC: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-nitrobenzamide.
Chemical Property Profile of AB00108730-01
Property Insights of AB00108730-01
The XLogP value of 5.14664 indicates that AB00108730-01 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 AB00108730-01. Following Lipinski's Rule of Five, AB00108730-01 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 AB00108730-01?
The CAS number of AB00108730-01 is 428491-83-2.
What is the molecular formula of AB00108730-01?
The molecular formula of AB00108730-01 is C23H18N4O4S.
What is the molecular weight of AB00108730-01?
The molecular weight of AB00108730-01 is 446.10 g/mol.
Where can I buy AB00108730-01?
You can request a quote for AB00108730-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00108730-01?
Yes, KEHONG BIO provides custom synthesis services for AB00108730-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.