BAS 00327521
TL;DR: BAS 00327521 (CAS 313519-90-3) is a chemical compound with molecular formula C25H24N2OS and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00327521, 3-phenyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 3-phenyl-2-(prop-2-enylsulfanyl)-5,6-dihydro-4(3H)-oxospiro(benzo[h]quinazoline-5,1'-cyclopentane), 2-(allylthio)-3-phenyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 3-phenyl-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C25H24N2OS |
|---|---|
| Molecular Weight | 400.16 g/mol |
| LogP | 5.5455 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.16095 |
| Heavy Atoms | 29 |
| Complexity | 1127.3054 |
Chemical Identifiers
| CAS Number | 313519-90-3 |
|---|---|
| SMILES | C=CCSC1=NC2=C(C(=O)N1C3=CC=CC=C3)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00327521 (CAS 313519-90-3), with molecular formula C25H24N2OS and molecular weight 400.16 g/mol. IUPAC: 3-phenyl-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00327521
Property Insights of BAS 00327521
The XLogP value of 5.5455 indicates that BAS 00327521 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 00327521 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00327521 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 00327521?
The CAS number of BAS 00327521 is 313519-90-3.
What is the molecular formula of BAS 00327521?
The molecular formula of BAS 00327521 is C25H24N2OS.
What is the molecular weight of BAS 00327521?
The molecular weight of BAS 00327521 is 400.16 g/mol.
Where can I buy BAS 00327521?
You can request a quote for BAS 00327521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00327521?
Yes, KEHONG BIO provides custom synthesis services for BAS 00327521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.