BAS 06900592
TL;DR: BAS 06900592 (CAS 445382-42-3) is a chemical compound with molecular formula C19H20N2OS and molecular weight 324.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methoxyphenyl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: BAS 06900592, 2-[(3-methoxybenzyl)sulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, AM-807/14146462, 2-[(3-methoxyphenyl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, BRD-K74731624-001-01-0
| Molecular Formula | C19H20N2OS |
|---|---|
| Molecular Weight | 324.13 g/mol |
| LogP | 4.52308 |
| Topological Polar Surface Area | 45.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.12964 |
| Heavy Atoms | 23 |
| Complexity | 736.6348 |
Chemical Identifiers
| CAS Number | 445382-42-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=C(C=C3CCCCCC3=N2)C#N |
Product Overview
BAS 06900592 (CAS 445382-42-3), with molecular formula C19H20N2OS and molecular weight 324.13 g/mol. IUPAC: 2-[(3-methoxyphenyl)methylsulfanyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 06900592
Property Insights of BAS 06900592
The XLogP value of 4.52308 indicates that BAS 06900592 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.91 Ų, BAS 06900592 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06900592 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 06900592?
The CAS number of BAS 06900592 is 445382-42-3.
What is the molecular formula of BAS 06900592?
The molecular formula of BAS 06900592 is C19H20N2OS.
What is the molecular weight of BAS 06900592?
The molecular weight of BAS 06900592 is 324.13 g/mol.
Where can I buy BAS 06900592?
You can request a quote for BAS 06900592 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900592?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900592 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.