BAS 01312873
TL;DR: BAS 01312873 (CAS 337487-59-9) is a chemical compound with molecular formula C32H32N2OS and molecular weight 492.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-[(2,4-dimethylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 01312873, 2-[(2,4-dimethylphenyl)methylthio]-3-benzylspiro[3,5,6-trihydrobenzo[h]quinazo line-5,1'-cyclopentane]-4-one, 3-benzyl-2-((2,4-dimethylbenzyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-benzyl-2-[(2,4-dimethylbenzyl)sulfanyl]-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-benzyl-2-[(2,4-dimethylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
| Molecular Formula | C32H32N2OS |
|---|---|
| Molecular Weight | 492.22 g/mol |
| LogP | 7.23564 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.22354 |
| Heavy Atoms | 36 |
| Complexity | 1482.267 |
Chemical Identifiers
| CAS Number | 337487-59-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)CSC2=NC3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCC5)CC6=CC=CC=C63)C |
Product Overview
BAS 01312873 (CAS 337487-59-9), with molecular formula C32H32N2OS and molecular weight 492.22 g/mol. IUPAC: 3-benzyl-2-[(2,4-dimethylphenyl)methylsulfanyl]spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 01312873
Property Insights of BAS 01312873
The XLogP value of 7.23564 indicates that BAS 01312873 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 01312873 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01312873 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 01312873?
The CAS number of BAS 01312873 is 337487-59-9.
What is the molecular formula of BAS 01312873?
The molecular formula of BAS 01312873 is C32H32N2OS.
What is the molecular weight of BAS 01312873?
The molecular weight of BAS 01312873 is 492.22 g/mol.
Where can I buy BAS 01312873?
You can request a quote for BAS 01312873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01312873?
Yes, KEHONG BIO provides custom synthesis services for BAS 01312873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.