BAS 01322133
TL;DR: BAS 01322133 (CAS 327170-62-7) is a chemical compound with molecular formula C21H23N3OS and molecular weight 365.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile
Also Known As: BAS 01322133, [(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetonitrile, 2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile, 2-((3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)thio)acetonitrile, 2-(3-ethyl-4-oxospiro[3,5,6-trihydrobenzo[h]quinazoline-5,1'-cyclohexane]-2-yl thio)ethanenitrile
| Molecular Formula | C21H23N3OS |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 4.30388 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.1562 |
| Heavy Atoms | 26 |
| Complexity | 935.248 |
Chemical Identifiers
| CAS Number | 327170-62-7 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC#N |
Product Overview
BAS 01322133 (CAS 327170-62-7), with molecular formula C21H23N3OS and molecular weight 365.16 g/mol. IUPAC: 2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetonitrile.
Chemical Property Profile of BAS 01322133
Property Insights of BAS 01322133
The XLogP value of 4.30388 indicates that BAS 01322133 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 01322133 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01322133 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 01322133?
The CAS number of BAS 01322133 is 327170-62-7.
What is the molecular formula of BAS 01322133?
The molecular formula of BAS 01322133 is C21H23N3OS.
What is the molecular weight of BAS 01322133?
The molecular weight of BAS 01322133 is 365.16 g/mol.
Where can I buy BAS 01322133?
You can request a quote for BAS 01322133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01322133?
Yes, KEHONG BIO provides custom synthesis services for BAS 01322133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.