BAS 01322117
TL;DR: BAS 01322117 (CAS 337494-86-7) is a chemical compound with molecular formula C20H21N3OS and molecular weight 351.14 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'-cyclopentane]-2-yl)sulfanylacetonitrile
Also Known As: BAS 01322117, AN-512/12673374, 2-[[3-Ethyl-4-oxospiro[benzo[h]quinazoline-5(3H),1'-cyclopentane]-2(6H)-yl]thio]acetonitrile, [(3-ethyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-2-yl)sulfanyl]acetonitrile, 2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile
| Molecular Formula | C20H21N3OS |
|---|---|
| Molecular Weight | 351.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.14053 |
| Heavy Atoms | 25 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 337494-86-7 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC#N |
| InChIKey | UBOLBVLOPOHWKO-UHFFFAOYSA-N |
Product Overview
BAS 01322117 (CAS 337494-86-7), with molecular formula C20H21N3OS and molecular weight 351.14 g/mol. IUPAC: 2-(3-ethyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetonitrile.
Chemical Property Profile of BAS 01322117
Property Insights of BAS 01322117
The XLogP value of 4.2 indicates that BAS 01322117 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01322117. Following Lipinski's Rule of Five, BAS 01322117 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 01322117?
The CAS number of BAS 01322117 is 337494-86-7.
What is the molecular formula of BAS 01322117?
The molecular formula of BAS 01322117 is C20H21N3OS.
What is the molecular weight of BAS 01322117?
The molecular weight of BAS 01322117 is 351.14 g/mol.
Where can I buy BAS 01322117?
You can request a quote for BAS 01322117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01322117?
Yes, KEHONG BIO provides custom synthesis services for BAS 01322117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.