BAS 01312953
TL;DR: BAS 01312953 (CAS 337488-48-9) is a chemical compound with molecular formula C26H26N2OS and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylprop-2-enylsulfanyl)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 01312953, 2-((2-methylallyl)thio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-(2-methylprop-2-enylsulfanyl)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-(2-methylprop-2-enylthio)-3-phenylspiro[3,5,6-trihydrobenzo[h]quinazoline-5, 1'-cyclopentane]-4-one, 2-[(2-methylprop-2-en-1-yl)sulfanyl]-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C26H26N2OS |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 5.9356 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.17657 |
| Heavy Atoms | 30 |
| Complexity | 1173.3832 |
Chemical Identifiers
| CAS Number | 337488-48-9 |
|---|---|
| SMILES | CC(=C)CSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 01312953 (CAS 337488-48-9), with molecular formula C26H26N2OS and molecular weight 414.18 g/mol. IUPAC: 2-(2-methylprop-2-enylsulfanyl)-3-phenylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 01312953
Property Insights of BAS 01312953
The XLogP value of 5.9356 indicates that BAS 01312953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, BAS 01312953 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01312953 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01312953?
The CAS number of BAS 01312953 is 337488-48-9.
What is the molecular formula of BAS 01312953?
The molecular formula of BAS 01312953 is C26H26N2OS.
What is the molecular weight of BAS 01312953?
The molecular weight of BAS 01312953 is 414.18 g/mol.
Where can I buy BAS 01312953?
You can request a quote for BAS 01312953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01312953?
Yes, KEHONG BIO provides custom synthesis services for BAS 01312953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.