AB00079724-01
TL;DR: AB00079724-01 (CAS 210287-79-9) 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.
(E)-3-[4-(dimethylamino)phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: AB00079724-01, 3-[4-(dimethylamino)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]acrylonitrile, (2E)-3-[4-(dimethylamino)phenyl]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-[4-(dimethylamino)phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-(4-(dimethylamino)phenyl)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
| Molecular Formula | C23H17N3O2S |
|---|---|
| Molecular Weight | 399.10 g/mol |
| LogP | 5.04668 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.10416 |
| Heavy Atoms | 29 |
| Complexity | 1308.4583 |
Chemical Identifiers
| CAS Number | 210287-79-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O |
Product Overview
AB00079724-01 (CAS 210287-79-9), with molecular formula C23H17N3O2S and molecular weight 399.10 g/mol. IUPAC: (E)-3-[4-(dimethylamino)phenyl]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of AB00079724-01
Property Insights of AB00079724-01
The XLogP value of 5.04668 indicates that AB00079724-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00079724-01. Following Lipinski's Rule of Five, AB00079724-01 has 0 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 AB00079724-01?
The CAS number of AB00079724-01 is 210287-79-9.
What is the molecular formula of AB00079724-01?
The molecular formula of AB00079724-01 is C23H17N3O2S.
What is the molecular weight of AB00079724-01?
The molecular weight of AB00079724-01 is 399.10 g/mol.
Where can I buy AB00079724-01?
You can request a quote for AB00079724-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00079724-01?
Yes, KEHONG BIO provides custom synthesis services for AB00079724-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.