BAS 01103695
TL;DR: BAS 01103695 (CAS 309278-44-2) is a chemical compound with molecular formula C27H27ClN2S and molecular weight 446.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: BAS 01103695, 6-(tert-butyl)-2-[(2-chlorobenzyl)sulfanyl]-4-phenyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile, 6-tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 6-(Tert-butyl)-2-((2-chlorobenzyl)thio)-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, A2128/0089340
| Molecular Formula | C27H27ClN2S |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 7.71698 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.15836 |
| Heavy Atoms | 31 |
| Complexity | 1126.4539 |
Chemical Identifiers
| CAS Number | 309278-44-2 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=CC=C3Cl)C#N)C4=CC=CC=C4 |
Product Overview
BAS 01103695 (CAS 309278-44-2), with molecular formula C27H27ClN2S and molecular weight 446.16 g/mol. IUPAC: 6-tert-butyl-2-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of BAS 01103695
Property Insights of BAS 01103695
The XLogP value of 7.71698 indicates that BAS 01103695 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 01103695 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01103695 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01103695?
The CAS number of BAS 01103695 is 309278-44-2.
What is the molecular formula of BAS 01103695?
The molecular formula of BAS 01103695 is C27H27ClN2S.
What is the molecular weight of BAS 01103695?
The molecular weight of BAS 01103695 is 446.16 g/mol.
Where can I buy BAS 01103695?
You can request a quote for BAS 01103695 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01103695?
Yes, KEHONG BIO provides custom synthesis services for BAS 01103695 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.