AB00098218-01
TL;DR: AB00098218-01 (CAS 374099-80-6) is a chemical compound with molecular formula C23H17N3O2S and molecular weight 399.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(3,4-dimethylanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: AB00098218-01, (Z)-3-((3,4-dimethylphenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (Z)-3-(3,4-dimethylanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(3,4-dimethylphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile
| Molecular Formula | C23H17N3O2S |
|---|---|
| Molecular Weight | 399.10 g/mol |
| LogP | 5.50992 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.10416 |
| Heavy Atoms | 29 |
| Complexity | 1342.2396 |
Chemical Identifiers
| CAS Number | 374099-80-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)C |
Product Overview
AB00098218-01 (CAS 374099-80-6), with molecular formula C23H17N3O2S and molecular weight 399.10 g/mol. IUPAC: (Z)-3-(3,4-dimethylanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of AB00098218-01
Property Insights of AB00098218-01
The XLogP value of 5.50992 indicates that AB00098218-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00098218-01. Following Lipinski's Rule of Five, AB00098218-01 has 1 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 AB00098218-01?
The CAS number of AB00098218-01 is 374099-80-6.
What is the molecular formula of AB00098218-01?
The molecular formula of AB00098218-01 is C23H17N3O2S.
What is the molecular weight of AB00098218-01?
The molecular weight of AB00098218-01 is 399.10 g/mol.
Where can I buy AB00098218-01?
You can request a quote for AB00098218-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00098218-01?
Yes, KEHONG BIO provides custom synthesis services for AB00098218-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.