BAS 01312872
TL;DR: BAS 01312872 (CAS 337487-56-6) is a chemical compound with molecular formula C27H28N2OS and molecular weight 428.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(2-methylprop-2-enylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 01312872, 3-benzyl-2-((2-methylallyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-(2-methylprop-2-enylthio)-3-benzylspiro[3,5,6-trihydrobenzo[h]quinazoline-5, 1'-cyclopentane]-4-one, 3-benzyl-2-(2-methylprop-2-enylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-benzyl-2-[(2-methylprop-2-en-1-yl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C27H28N2OS |
|---|---|
| Molecular Weight | 428.19 g/mol |
| LogP | 5.9947 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.19223 |
| Heavy Atoms | 31 |
| Complexity | 1189.6035 |
Chemical Identifiers
| CAS Number | 337487-56-6 |
|---|---|
| SMILES | CC(=C)CSC1=NC2=C(C(=O)N1CC3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 01312872 (CAS 337487-56-6), with molecular formula C27H28N2OS and molecular weight 428.19 g/mol. IUPAC: 3-benzyl-2-(2-methylprop-2-enylsulfanyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 01312872
Property Insights of BAS 01312872
The XLogP value of 5.9947 indicates that BAS 01312872 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 01312872 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01312872 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 01312872?
The CAS number of BAS 01312872 is 337487-56-6.
What is the molecular formula of BAS 01312872?
The molecular formula of BAS 01312872 is C27H28N2OS.
What is the molecular weight of BAS 01312872?
The molecular weight of BAS 01312872 is 428.19 g/mol.
Where can I buy BAS 01312872?
You can request a quote for BAS 01312872 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01312872?
Yes, KEHONG BIO provides custom synthesis services for BAS 01312872 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.