BAS 04360166
TL;DR: BAS 04360166 (CAS 496022-46-9) is a chemical compound with molecular formula C15H17N3OS2 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-yl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Also Known As: BAS 04360166, AF-399/40923190, 1-(pyrrolidin-1-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}ethan-1-one, 6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide
| Molecular Formula | C15H17N3OS2 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 2.8945 |
| Topological Polar Surface Area | 46.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0813 |
| Heavy Atoms | 21 |
| Complexity | 691.5287 |
Chemical Identifiers
| CAS Number | 496022-46-9 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4 |
Product Overview
BAS 04360166 (CAS 496022-46-9), with molecular formula C15H17N3OS2 and molecular weight 319.08 g/mol. IUPAC: 1-pyrrolidin-1-yl-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone.
Chemical Property Profile of BAS 04360166
Property Insights of BAS 04360166
The XLogP value of 2.8945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04360166. With a topological polar surface area (TPSA) of 46.09 Ų, BAS 04360166 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04360166 has 0 hydrogen bond donor(s) and 5 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 04360166?
The CAS number of BAS 04360166 is 496022-46-9.
What is the molecular formula of BAS 04360166?
The molecular formula of BAS 04360166 is C15H17N3OS2.
What is the molecular weight of BAS 04360166?
The molecular weight of BAS 04360166 is 319.08 g/mol.
Where can I buy BAS 04360166?
You can request a quote for BAS 04360166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04360166?
Yes, KEHONG BIO provides custom synthesis services for BAS 04360166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.