AB00111310-01
TL;DR: AB00111310-01 (CAS 428856-39-7) is a chemical compound with molecular formula C25H22N4O4S and molecular weight 474.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide
Also Known As: AB00111310-01, N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide, N-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-2-methyl-3-nitrobenzamide
| Molecular Formula | C25H22N4O4S |
|---|---|
| Molecular Weight | 474.14 g/mol |
| LogP | 5.76348 |
| Topological Polar Surface Area | 110.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.13617 |
| Heavy Atoms | 34 |
| Complexity | 1475.5498 |
Chemical Identifiers
| CAS Number | 428856-39-7 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)C)C |
Product Overview
AB00111310-01 (CAS 428856-39-7), with molecular formula C25H22N4O4S and molecular weight 474.14 g/mol. IUPAC: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of AB00111310-01
Property Insights of AB00111310-01
The XLogP value of 5.76348 indicates that AB00111310-01 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 AB00111310-01. Following Lipinski's Rule of Five, AB00111310-01 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 AB00111310-01?
The CAS number of AB00111310-01 is 428856-39-7.
What is the molecular formula of AB00111310-01?
The molecular formula of AB00111310-01 is C25H22N4O4S.
What is the molecular weight of AB00111310-01?
The molecular weight of AB00111310-01 is 474.14 g/mol.
Where can I buy AB00111310-01?
You can request a quote for AB00111310-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111310-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111310-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.