BAS 00818548
TL;DR: BAS 00818548 (CAS 316360-04-0) is a chemical compound with molecular formula C27H25ClN2O2S and molecular weight 476.13 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-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00818548, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-allyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-3-(PROP-2-EN-1-YL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOPENTAN]-4-ONE
| Molecular Formula | C27H25ClN2O2S |
|---|---|
| Molecular Weight | 476.13 g/mol |
| LogP | 6.0926 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.13254 |
| Heavy Atoms | 33 |
| Complexity | 1290.4637 |
Chemical Identifiers
| CAS Number | 316360-04-0 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
BAS 00818548 (CAS 316360-04-0), with molecular formula C27H25ClN2O2S and molecular weight 476.13 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00818548
Property Insights of BAS 00818548
The XLogP value of 6.0926 indicates that BAS 00818548 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 00818548 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00818548 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 00818548?
The CAS number of BAS 00818548 is 316360-04-0.
What is the molecular formula of BAS 00818548?
The molecular formula of BAS 00818548 is C27H25ClN2O2S.
What is the molecular weight of BAS 00818548?
The molecular weight of BAS 00818548 is 476.13 g/mol.
Where can I buy BAS 00818548?
You can request a quote for BAS 00818548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818548?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.