AB00090696-01
TL;DR: AB00090696-01 (CAS 374098-39-2) is a chemical compound with molecular formula C20H15BrN4OS and molecular weight 438.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]phenyl]acetamide
Also Known As: AB00090696-01, (E)-N-(4-((2-(4-(3-bromophenyl)thiazol-2-yl)-2-cyanovinyl)amino)phenyl)acetamide, N-[4-({(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)phenyl]acetamide, N-[4-({2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanovinyl}amino)phenyl]acetamide, N-[4-[[(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]phenyl]acetamide
| Molecular Formula | C20H15BrN4OS |
|---|---|
| Molecular Weight | 438.01 g/mol |
| LogP | 5.50758 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.01498 |
| Heavy Atoms | 27 |
| Complexity | 1034.6354 |
Chemical Identifiers
| CAS Number | 374098-39-2 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC(=CC=C3)Br |
Product Overview
AB00090696-01 (CAS 374098-39-2), with molecular formula C20H15BrN4OS and molecular weight 438.01 g/mol. IUPAC: N-[4-[[(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]phenyl]acetamide.
Chemical Property Profile of AB00090696-01
Property Insights of AB00090696-01
The XLogP value of 5.50758 indicates that AB00090696-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00090696-01. Following Lipinski's Rule of Five, AB00090696-01 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 AB00090696-01?
The CAS number of AB00090696-01 is 374098-39-2.
What is the molecular formula of AB00090696-01?
The molecular formula of AB00090696-01 is C20H15BrN4OS.
What is the molecular weight of AB00090696-01?
The molecular weight of AB00090696-01 is 438.01 g/mol.
Where can I buy AB00090696-01?
You can request a quote for AB00090696-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00090696-01?
Yes, KEHONG BIO provides custom synthesis services for AB00090696-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.