BAS 01107842
TL;DR: BAS 01107842 (CAS 313379-82-7) is a chemical compound with molecular formula C21H17FN2S2 and molecular weight 380.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: BAS 01107842, A0533/0024604, 2-((4-fluorobenzyl)thio)-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-(4-fluorobenzylsulfanyl)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(4-fluorobenzyl)sulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
| Molecular Formula | C21H17FN2S2 |
|---|---|
| Molecular Weight | 380.08 g/mol |
| LogP | 5.99198 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.08173 |
| Heavy Atoms | 26 |
| Complexity | 957.16644 |
Chemical Identifiers
| CAS Number | 313379-82-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)F)C#N)C4=CC=CS4 |
Product Overview
BAS 01107842 (CAS 313379-82-7), with molecular formula C21H17FN2S2 and molecular weight 380.08 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of BAS 01107842
Property Insights of BAS 01107842
The XLogP value of 5.99198 indicates that BAS 01107842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, BAS 01107842 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01107842 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01107842?
The CAS number of BAS 01107842 is 313379-82-7.
What is the molecular formula of BAS 01107842?
The molecular formula of BAS 01107842 is C21H17FN2S2.
What is the molecular weight of BAS 01107842?
The molecular weight of BAS 01107842 is 380.08 g/mol.
Where can I buy BAS 01107842?
You can request a quote for BAS 01107842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01107842?
Yes, KEHONG BIO provides custom synthesis services for BAS 01107842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.