BAS 05896399
TL;DR: BAS 05896399 (CAS 796880-96-1) is a chemical compound with molecular formula C19H14FN5O3S2 and molecular weight 443.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]phenyl]sulfonylurea
Also Known As: BAS 05896399, (E)-N-carbamoyl-4-((2-cyano-2-(4-(4-fluorophenyl)thiazol-2-yl)vinyl)amino)benzenesulfonamide, [4-[[(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]phenyl]sulfonylurea, N-carbamoyl-4-({(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzenesulfonamide
| Molecular Formula | C19H14FN5O3S2 |
|---|---|
| Molecular Weight | 443.05 g/mol |
| LogP | 3.28278 |
| Topological Polar Surface Area | 137.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.05222 |
| Heavy Atoms | 30 |
| Complexity | 1244.572 |
Chemical Identifiers
| CAS Number | 796880-96-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CSC(=N2)/C(=C/NC3=CC=C(C=C3)S(=O)(=O)NC(=O)N)/C#N)F |
Product Overview
BAS 05896399 (CAS 796880-96-1), with molecular formula C19H14FN5O3S2 and molecular weight 443.05 g/mol. IUPAC: [4-[[(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]amino]phenyl]sulfonylurea.
Chemical Property Profile of BAS 05896399
Property Insights of BAS 05896399
The XLogP value of 3.28278 indicates that BAS 05896399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.97 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05896399. Following Lipinski's Rule of Five, BAS 05896399 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 05896399?
The CAS number of BAS 05896399 is 796880-96-1.
What is the molecular formula of BAS 05896399?
The molecular formula of BAS 05896399 is C19H14FN5O3S2.
What is the molecular weight of BAS 05896399?
The molecular weight of BAS 05896399 is 443.05 g/mol.
Where can I buy BAS 05896399?
You can request a quote for BAS 05896399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05896399?
Yes, KEHONG BIO provides custom synthesis services for BAS 05896399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.