BAS 01322112
TL;DR: BAS 01322112 (CAS 327170-44-5) is a chemical compound with molecular formula C18H20N2OS and molecular weight 312.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 01322112, 3-ethyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-ethyl-2-sulfanyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-ethyl-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-ethyl-2-thioxospiro[1,3,5,6-tetrahydrobenzo[h]quinazoline-5,1'-cyclopentane] -4-one
| Molecular Formula | C18H20N2OS |
|---|---|
| Molecular Weight | 312.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 312.12964 |
| Heavy Atoms | 22 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 327170-44-5 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)NC1=S |
| InChIKey | PVEGLRIYLCWVKZ-UHFFFAOYSA-N |
Product Overview
BAS 01322112 (CAS 327170-44-5), with molecular formula C18H20N2OS and molecular weight 312.13 g/mol. IUPAC: 3-ethyl-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 01322112
Property Insights of BAS 01322112
The XLogP value of 3.9 indicates that BAS 01322112 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01322112. Following Lipinski's Rule of Five, BAS 01322112 has 1 hydrogen bond donor(s) and 2 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 01322112?
The CAS number of BAS 01322112 is 327170-44-5.
What is the molecular formula of BAS 01322112?
The molecular formula of BAS 01322112 is C18H20N2OS.
What is the molecular weight of BAS 01322112?
The molecular weight of BAS 01322112 is 312.13 g/mol.
Where can I buy BAS 01322112?
You can request a quote for BAS 01322112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01322112?
Yes, KEHONG BIO provides custom synthesis services for BAS 01322112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.