BAS 06901349
TL;DR: BAS 06901349 (CAS 626221-63-4) is a chemical compound with molecular formula C18H22F3N3S and molecular weight 369.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-pyrrolidin-1-ylethylsulfanyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: BAS 06901349, AM-807/41624850, 2-((2-(Pyrrolidin-1-yl)ethyl)thio)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-(2-pyrrolidin-1-ylethylsulfanyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-{[2-(1-pyrrolidinyl)ethyl]sulfanyl}-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
| Molecular Formula | C18H22F3N3S |
|---|---|
| Molecular Weight | 369.15 g/mol |
| LogP | 4.42888 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.14865 |
| Heavy Atoms | 25 |
| Complexity | 661.00085 |
Chemical Identifiers
| CAS Number | 626221-63-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)N=C(C(=C2C(F)(F)F)C#N)SCCN3CCCC3 |
Product Overview
BAS 06901349 (CAS 626221-63-4), with molecular formula C18H22F3N3S and molecular weight 369.15 g/mol. IUPAC: 2-(2-pyrrolidin-1-ylethylsulfanyl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 06901349
Property Insights of BAS 06901349
The XLogP value of 4.42888 indicates that BAS 06901349 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.92 Ų, BAS 06901349 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06901349 has 0 hydrogen bond donor(s) and 4 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 06901349?
The CAS number of BAS 06901349 is 626221-63-4.
What is the molecular formula of BAS 06901349?
The molecular formula of BAS 06901349 is C18H22F3N3S.
What is the molecular weight of BAS 06901349?
The molecular weight of BAS 06901349 is 369.15 g/mol.
Where can I buy BAS 06901349?
You can request a quote for BAS 06901349 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06901349?
Yes, KEHONG BIO provides custom synthesis services for BAS 06901349 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.