BAS 01322241
TL;DR: BAS 01322241 (CAS 337496-70-5) is a chemical compound with molecular formula C30H31ClN2O2S and molecular weight 518.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(cyclopentylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 01322241, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(cyclopentylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-(cyclopentylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-3-(CYCLOPENTYLMETHYL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOPENTAN]-4-ONE
| Molecular Formula | C30H31ClN2O2S |
|---|---|
| Molecular Weight | 518.18 g/mol |
| LogP | 7.0968 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.1795 |
| Heavy Atoms | 36 |
| Complexity | 1352.3522 |
Chemical Identifiers
| CAS Number | 337496-70-5 |
|---|---|
| SMILES | C1CCC(C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Cl |
Product Overview
BAS 01322241 (CAS 337496-70-5), with molecular formula C30H31ClN2O2S and molecular weight 518.18 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(cyclopentylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 01322241
Property Insights of BAS 01322241
The XLogP value of 7.0968 indicates that BAS 01322241 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, BAS 01322241 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01322241 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01322241?
The CAS number of BAS 01322241 is 337496-70-5.
What is the molecular formula of BAS 01322241?
The molecular formula of BAS 01322241 is C30H31ClN2O2S.
What is the molecular weight of BAS 01322241?
The molecular weight of BAS 01322241 is 518.18 g/mol.
Where can I buy BAS 01322241?
You can request a quote for BAS 01322241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01322241?
Yes, KEHONG BIO provides custom synthesis services for BAS 01322241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.