BAS 01176871
TL;DR: BAS 01176871 (CAS 332145-35-4) is a chemical compound with molecular formula C29H29ClN2O2S and molecular weight 504.16 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-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 01176871, AJ-292/12930007, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-cyclopentyl-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-3-cyclopentyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C29H29ClN2O2S |
|---|---|
| Molecular Weight | 504.16 g/mol |
| LogP | 7.0217 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.16382 |
| Heavy Atoms | 35 |
| Complexity | 1335.7781 |
Chemical Identifiers
| CAS Number | 332145-35-4 |
|---|---|
| SMILES | C1CCC(C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Cl |
Product Overview
BAS 01176871 (CAS 332145-35-4), with molecular formula C29H29ClN2O2S and molecular weight 504.16 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyclopentylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 01176871
Property Insights of BAS 01176871
The XLogP value of 7.0217 indicates that BAS 01176871 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 01176871 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01176871 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 01176871?
The CAS number of BAS 01176871 is 332145-35-4.
What is the molecular formula of BAS 01176871?
The molecular formula of BAS 01176871 is C29H29ClN2O2S.
What is the molecular weight of BAS 01176871?
The molecular weight of BAS 01176871 is 504.16 g/mol.
Where can I buy BAS 01176871?
You can request a quote for BAS 01176871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01176871?
Yes, KEHONG BIO provides custom synthesis services for BAS 01176871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.