BAS 00335943
TL;DR: BAS 00335943 (CAS 312594-22-2) is a chemical compound with molecular formula C23H22N2O2S and molecular weight 390.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00335943, AJ-292/34008007, 3-(4-methoxyphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, A0815/0038194
| Molecular Formula | C23H22N2O2S |
|---|---|
| Molecular Weight | 390.14 g/mol |
| LogP | 4.93859 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.1402 |
| Heavy Atoms | 28 |
| Complexity | 1168.4421 |
Chemical Identifiers
| CAS Number | 312594-22-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)NC2=S |
Product Overview
BAS 00335943 (CAS 312594-22-2), with molecular formula C23H22N2O2S and molecular weight 390.14 g/mol. IUPAC: 3-(4-methoxyphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00335943
Property Insights of BAS 00335943
The XLogP value of 4.93859 indicates that BAS 00335943 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, BAS 00335943 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00335943 has 1 hydrogen bond donor(s) and 3 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 00335943?
The CAS number of BAS 00335943 is 312594-22-2.
What is the molecular formula of BAS 00335943?
The molecular formula of BAS 00335943 is C23H22N2O2S.
What is the molecular weight of BAS 00335943?
The molecular weight of BAS 00335943 is 390.14 g/mol.
Where can I buy BAS 00335943?
You can request a quote for BAS 00335943 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00335943?
Yes, KEHONG BIO provides custom synthesis services for BAS 00335943 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.