BAS 02287954
TL;DR: BAS 02287954 (CAS 351007-41-5) is a chemical compound with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile
Also Known As: BAS 02287954, {[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetonitrile, 2-((3-(2-methylallyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetonitrile, 2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile, 2-[3-(2-methylprop-2-enyl)-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]p yrimidin-2-ylthio]ethanenitrile
| Molecular Formula | C16H17N3OS2 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | 3.52858 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.0813 |
| Heavy Atoms | 22 |
| Complexity | 841.6637 |
Chemical Identifiers
| CAS Number | 351007-41-5 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC#N)SC3=C2CCCC3 |
Product Overview
BAS 02287954 (CAS 351007-41-5), with molecular formula C16H17N3OS2 and molecular weight 331.08 g/mol. IUPAC: 2-[[3-(2-methylprop-2-enyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetonitrile.
Chemical Property Profile of BAS 02287954
Property Insights of BAS 02287954
The XLogP value of 3.52858 indicates that BAS 02287954 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, BAS 02287954 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02287954 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 02287954?
The CAS number of BAS 02287954 is 351007-41-5.
What is the molecular formula of BAS 02287954?
The molecular formula of BAS 02287954 is C16H17N3OS2.
What is the molecular weight of BAS 02287954?
The molecular weight of BAS 02287954 is 331.08 g/mol.
Where can I buy BAS 02287954?
You can request a quote for BAS 02287954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02287954?
Yes, KEHONG BIO provides custom synthesis services for BAS 02287954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.