BAS 00865193
TL;DR: BAS 00865193 (CAS 332045-27-9) is a chemical compound with molecular formula C31H25FN2O2S and molecular weight 508.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: BAS 00865193, F0192-0556, 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 4-(4-(benzyloxy)phenyl)-2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 4-[4-(BENZYLOXY)PHENYL]-2-{[2-(4-FLUOROPHENYL)-2-OXOETHYL]SULFANYL}-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBONITRILE
| Molecular Formula | C31H25FN2O2S |
|---|---|
| Molecular Weight | 508.16 g/mol |
| LogP | 7.19218 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 508.16208 |
| Heavy Atoms | 37 |
| Complexity | 1446.2809 |
Chemical Identifiers
| CAS Number | 332045-27-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=C(C=C3)F)C#N)C4=CC=C(C=C4)OCC5=CC=CC=C5 |
Product Overview
BAS 00865193 (CAS 332045-27-9), with molecular formula C31H25FN2O2S and molecular weight 508.16 g/mol. IUPAC: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of BAS 00865193
Property Insights of BAS 00865193
The XLogP value of 7.19218 indicates that BAS 00865193 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00865193. Following Lipinski's Rule of Five, BAS 00865193 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 BAS 00865193?
The CAS number of BAS 00865193 is 332045-27-9.
What is the molecular formula of BAS 00865193?
The molecular formula of BAS 00865193 is C31H25FN2O2S.
What is the molecular weight of BAS 00865193?
The molecular weight of BAS 00865193 is 508.16 g/mol.
Where can I buy BAS 00865193?
You can request a quote for BAS 00865193 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00865193?
Yes, KEHONG BIO provides custom synthesis services for BAS 00865193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.