BAS 06900088
TL;DR: BAS 06900088 (CAS 496804-64-9) is a chemical compound with molecular formula C18H19N3S and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Also Known As: BAS 06900088, AM-807/14146473, 2-[(3-pyridinylmethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-{[(pyridin-3-yl)methyl]sulfanyl}-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile, 2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
| Molecular Formula | C18H19N3S |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 4.29958 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.12997 |
| Heavy Atoms | 22 |
| Complexity | 676.72186 |
Chemical Identifiers
| CAS Number | 496804-64-9 |
|---|---|
| SMILES | C1CCCC2=NC(=C(C=C2CC1)C#N)SCC3=CN=CC=C3 |
Product Overview
BAS 06900088 (CAS 496804-64-9), with molecular formula C18H19N3S and molecular weight 309.13 g/mol. IUPAC: 2-(pyridin-3-ylmethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 06900088
Property Insights of BAS 06900088
The XLogP value of 4.29958 indicates that BAS 06900088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, BAS 06900088 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 06900088 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 06900088?
The CAS number of BAS 06900088 is 496804-64-9.
What is the molecular formula of BAS 06900088?
The molecular formula of BAS 06900088 is C18H19N3S.
What is the molecular weight of BAS 06900088?
The molecular weight of BAS 06900088 is 309.13 g/mol.
Where can I buy BAS 06900088?
You can request a quote for BAS 06900088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06900088?
Yes, KEHONG BIO provides custom synthesis services for BAS 06900088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.