BAS 06899988
TL;DR: BAS 06899988 (CAS 354555-65-0) is a chemical compound with molecular formula C19H11F3N2O2S2 and molecular weight 420.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
Also Known As: BAS 06899988, AM-807/13613021, (3-Cyano-6-thiophen-2-yl-4-trifluoromethyl-pyridin-2-ylsulfanyl)-phenyl-acetic acid, 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenylacetic acid, 2-{[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-2-phenylacetic acid
| Molecular Formula | C19H11F3N2O2S2 |
|---|---|
| Molecular Weight | 420.02 g/mol |
| LogP | 5.61858 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.0214 |
| Heavy Atoms | 28 |
| Complexity | 1029.8225 |
Chemical Identifiers
| CAS Number | 354555-65-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)SC2=C(C(=CC(=N2)C3=CC=CS3)C(F)(F)F)C#N |
Product Overview
BAS 06899988 (CAS 354555-65-0), with molecular formula C19H11F3N2O2S2 and molecular weight 420.02 g/mol. IUPAC: 2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid.
Chemical Property Profile of BAS 06899988
Property Insights of BAS 06899988
The XLogP value of 5.61858 indicates that BAS 06899988 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06899988. Following Lipinski's Rule of Five, BAS 06899988 has 1 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 BAS 06899988?
The CAS number of BAS 06899988 is 354555-65-0.
What is the molecular formula of BAS 06899988?
The molecular formula of BAS 06899988 is C19H11F3N2O2S2.
What is the molecular weight of BAS 06899988?
The molecular weight of BAS 06899988 is 420.02 g/mol.
Where can I buy BAS 06899988?
You can request a quote for BAS 06899988 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06899988?
Yes, KEHONG BIO provides custom synthesis services for BAS 06899988 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.