BAS 01312867
TL;DR: BAS 01312867 (CAS 337487-47-5) is a chemical compound with molecular formula C27H25BrN2O2S and molecular weight 520.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 01312867, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-[2-(4-bromophenyl)-2-oxoethylthio]-3-prop-2-enylspiro[3,5,6-trihydrobenzo[h] quinazoline-5,1'-cyclopentane]-4-one, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-allyl-2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C27H25BrN2O2S |
|---|---|
| Molecular Weight | 520.08 g/mol |
| LogP | 6.2017 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 520.08203 |
| Heavy Atoms | 33 |
| Complexity | 1290.4637 |
Chemical Identifiers
| CAS Number | 337487-47-5 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCC4)N=C1SCC(=O)C5=CC=C(C=C5)Br |
Product Overview
BAS 01312867 (CAS 337487-47-5), with molecular formula C27H25BrN2O2S and molecular weight 520.08 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 01312867
Property Insights of BAS 01312867
The XLogP value of 6.2017 indicates that BAS 01312867 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 01312867 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01312867 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 01312867?
The CAS number of BAS 01312867 is 337487-47-5.
What is the molecular formula of BAS 01312867?
The molecular formula of BAS 01312867 is C27H25BrN2O2S.
What is the molecular weight of BAS 01312867?
The molecular weight of BAS 01312867 is 520.08 g/mol.
Where can I buy BAS 01312867?
You can request a quote for BAS 01312867 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01312867?
Yes, KEHONG BIO provides custom synthesis services for BAS 01312867 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.