BAS 02916388
TL;DR: BAS 02916388 (CAS 302552-60-9) is a chemical compound with molecular formula C17H11F3N2O4S and molecular weight 396.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
Also Known As: BAS 02916388, BIM-0036800.P001, AE-641/12845458, 2-({2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid, 2-((2,5-DIOXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-3-PYRROLIDINYL)THIO)NICOTINIC ACID
| Molecular Formula | C17H11F3N2O4S |
|---|---|
| Molecular Weight | 396.04 g/mol |
| LogP | 3.2228 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.03915 |
| Heavy Atoms | 27 |
| Complexity | 932.3897 |
Chemical Identifiers
| CAS Number | 302552-60-9 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(F)(F)F)SC3=C(C=CC=N3)C(=O)O |
Product Overview
BAS 02916388 (CAS 302552-60-9), with molecular formula C17H11F3N2O4S and molecular weight 396.04 g/mol. IUPAC: 2-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of BAS 02916388
Property Insights of BAS 02916388
The XLogP value of 3.2228 indicates that BAS 02916388 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02916388. Following Lipinski's Rule of Five, BAS 02916388 has 1 hydrogen bond donor(s) and 5 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 02916388?
The CAS number of BAS 02916388 is 302552-60-9.
What is the molecular formula of BAS 02916388?
The molecular formula of BAS 02916388 is C17H11F3N2O4S.
What is the molecular weight of BAS 02916388?
The molecular weight of BAS 02916388 is 396.04 g/mol.
Where can I buy BAS 02916388?
You can request a quote for BAS 02916388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02916388?
Yes, KEHONG BIO provides custom synthesis services for BAS 02916388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.