BAS 01176874
TL;DR: BAS 01176874 (CAS 332145-38-7) is a chemical compound with molecular formula C31H33ClN2O2S and molecular weight 532.20 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-(cyclohexylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 01176874, AJ-292/12930010, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclohexylmethyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(cyclohexylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(cyclohexylmethyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C31H33ClN2O2S |
|---|---|
| Molecular Weight | 532.20 g/mol |
| LogP | 7.4869 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.1951 |
| Heavy Atoms | 37 |
| Complexity | 1368.9457 |
Chemical Identifiers
| CAS Number | 332145-38-7 |
|---|---|
| SMILES | C1CCC(CC1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)C6=CC=C(C=C6)Cl |
Product Overview
BAS 01176874 (CAS 332145-38-7), with molecular formula C31H33ClN2O2S and molecular weight 532.20 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-(cyclohexylmethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 01176874
Property Insights of BAS 01176874
The XLogP value of 7.4869 indicates that BAS 01176874 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 01176874 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01176874 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 01176874?
The CAS number of BAS 01176874 is 332145-38-7.
What is the molecular formula of BAS 01176874?
The molecular formula of BAS 01176874 is C31H33ClN2O2S.
What is the molecular weight of BAS 01176874?
The molecular weight of BAS 01176874 is 532.20 g/mol.
Where can I buy BAS 01176874?
You can request a quote for BAS 01176874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01176874?
Yes, KEHONG BIO provides custom synthesis services for BAS 01176874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.