AF-399/15035003
TL;DR: AF-399/15035003 (CAS 307544-02-1) is a chemical compound with molecular formula C21H10ClF3O4S and molecular weight 449.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate
Also Known As: AF-399/15035003, [3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate, 3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl thiophene-2-carboxylate, 3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-thiophenecarboxylate, 3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl thiophene-2-carboxyla te
| Molecular Formula | C21H10ClF3O4S |
|---|---|
| Molecular Weight | 449.99 g/mol |
| LogP | 6.4129 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 449.99405 |
| Heavy Atoms | 30 |
| Complexity | 1310.3235 |
Chemical Identifiers
| CAS Number | 307544-02-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C(OC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC=CS4)C(F)(F)F)Cl |
Product Overview
AF-399/15035003 (CAS 307544-02-1), with molecular formula C21H10ClF3O4S and molecular weight 449.99 g/mol. IUPAC: [3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] thiophene-2-carboxylate.
Chemical Property Profile of AF-399/15035003
Property Insights of AF-399/15035003
The XLogP value of 6.4129 indicates that AF-399/15035003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, AF-399/15035003 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/15035003 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15035003?
The CAS number of AF-399/15035003 is 307544-02-1.
What is the molecular formula of AF-399/15035003?
The molecular formula of AF-399/15035003 is C21H10ClF3O4S.
What is the molecular weight of AF-399/15035003?
The molecular weight of AF-399/15035003 is 449.99 g/mol.
Where can I buy AF-399/15035003?
You can request a quote for AF-399/15035003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15035003?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15035003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.