AB00673307-01
TL;DR: AB00673307-01 (CAS 683258-51-7) is a chemical compound with molecular formula C18H10ClFN4O2S and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-chloro-4-fluoroanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: AB00673307-01, F1110-0377, (E)-3-((3-chloro-4-fluorophenyl)amino)-2-(4-(3-nitrophenyl)thiazol-2-yl)acrylonitrile, (E)-3-(3-chloro-4-fluoroanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (2E)-3-[(3-chloro-4-fluorophenyl)amino]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C18H10ClFN4O2S |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 5.48738 |
| Topological Polar Surface Area | 91.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0197 |
| Heavy Atoms | 27 |
| Complexity | 1090.9608 |
Chemical Identifiers
| CAS Number | 683258-51-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)/C(=C/NC3=CC(=C(C=C3)F)Cl)/C#N |
Product Overview
AB00673307-01 (CAS 683258-51-7), with molecular formula C18H10ClFN4O2S and molecular weight 400.02 g/mol. IUPAC: (E)-3-(3-chloro-4-fluoroanilino)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of AB00673307-01
Property Insights of AB00673307-01
The XLogP value of 5.48738 indicates that AB00673307-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.85 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673307-01. Following Lipinski's Rule of Five, AB00673307-01 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 AB00673307-01?
The CAS number of AB00673307-01 is 683258-51-7.
What is the molecular formula of AB00673307-01?
The molecular formula of AB00673307-01 is C18H10ClFN4O2S.
What is the molecular weight of AB00673307-01?
The molecular weight of AB00673307-01 is 400.02 g/mol.
Where can I buy AB00673307-01?
You can request a quote for AB00673307-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673307-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673307-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.