F0496-0429
TL;DR: F0496-0429 (CAS 391896-84-7) is a chemical compound with molecular formula C29H25N3O4S2 and molecular weight 543.13 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-(azepan-1-ylsulfonyl)benzoate
Also Known As: F0496-0429, 4-[(1E)-2-(1,3-benzothiazol-2-yl)-2-cyanoeth-1-en-1-yl]phenyl 4-(azepane-1-sulfonyl)benzoate, (E)-4-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)phenyl 4-(azepan-1-ylsulfonyl)benzoate, [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-(azepan-1-ylsulfonyl)benzoate, [4-(2-benzothiazol-2-yl-2-cyano-ethenyl)phenyl] 4-(azepan-1-ylsulfonyl)benzoate
| Molecular Formula | C29H25N3O4S2 |
|---|---|
| Molecular Weight | 543.13 g/mol |
| LogP | 6.14438 |
| Topological Polar Surface Area | 100.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.12866 |
| Heavy Atoms | 38 |
| Complexity | 1592.907 |
Chemical Identifiers
| CAS Number | 391896-84-7 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)/C=C(\C#N)/C4=NC5=CC=CC=C5S4 |
Product Overview
F0496-0429 (CAS 391896-84-7), with molecular formula C29H25N3O4S2 and molecular weight 543.13 g/mol. IUPAC: [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-(azepan-1-ylsulfonyl)benzoate.
Chemical Property Profile of F0496-0429
Property Insights of F0496-0429
The XLogP value of 6.14438 indicates that F0496-0429 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 F0496-0429. Following Lipinski's Rule of Five, F0496-0429 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 F0496-0429?
The CAS number of F0496-0429 is 391896-84-7.
What is the molecular formula of F0496-0429?
The molecular formula of F0496-0429 is C29H25N3O4S2.
What is the molecular weight of F0496-0429?
The molecular weight of F0496-0429 is 543.13 g/mol.
Where can I buy F0496-0429?
You can request a quote for F0496-0429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0496-0429?
Yes, KEHONG BIO provides custom synthesis services for F0496-0429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.