F0496-0445
TL;DR: F0496-0445 (CAS 391896-90-5) is a chemical compound with molecular formula C32H23N3O4S2 and molecular weight 577.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
Also Known As: F0496-0445, (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)phenyl 4-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoate, 4-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzoate, [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate
| Molecular Formula | C32H23N3O4S2 |
|---|---|
| Molecular Weight | 577.11 g/mol |
| LogP | 6.32668 |
| Topological Polar Surface Area | 100.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 577.113 |
| Heavy Atoms | 41 |
| Complexity | 1904.8915 |
Chemical Identifiers
| CAS Number | 391896-90-5 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC4=CC=C(C=C4)/C=C(\C#N)/C5=NC6=CC=CC=C6S5 |
Product Overview
F0496-0445 (CAS 391896-90-5), with molecular formula C32H23N3O4S2 and molecular weight 577.11 g/mol. IUPAC: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoate.
Chemical Property Profile of F0496-0445
Property Insights of F0496-0445
The XLogP value of 6.32668 indicates that F0496-0445 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.36 Ų falls within the moderate polarity range, balancing permeability and solubility for F0496-0445. Following Lipinski's Rule of Five, F0496-0445 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0496-0445?
The CAS number of F0496-0445 is 391896-90-5.
What is the molecular formula of F0496-0445?
The molecular formula of F0496-0445 is C32H23N3O4S2.
What is the molecular weight of F0496-0445?
The molecular weight of F0496-0445 is 577.11 g/mol.
Where can I buy F0496-0445?
You can request a quote for F0496-0445 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0496-0445?
Yes, KEHONG BIO provides custom synthesis services for F0496-0445 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.