BAS 00818542
TL;DR: BAS 00818542 (CAS 327169-63-1) is a chemical compound with molecular formula C23H28N2OS and molecular weight 380.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00818542, 2-butylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-butylthio-3-prop-2-enylspiro[3,5,6-trihydrobenzo[h]quinazoline-5,1'-cyclopen tane]-4-one, 3-allyl-2-(butylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one, 2-(butylsulfanyl)-3-(prop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C23H28N2OS |
|---|---|
| Molecular Weight | 380.19 g/mol |
| LogP | 5.3564 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.19223 |
| Heavy Atoms | 27 |
| Complexity | 909.0798 |
Chemical Identifiers
| CAS Number | 327169-63-1 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C(=O)N1CC=C)C3(CCCC3)CC4=CC=CC=C42 |
Product Overview
BAS 00818542 (CAS 327169-63-1), with molecular formula C23H28N2OS and molecular weight 380.19 g/mol. IUPAC: 2-butylsulfanyl-3-prop-2-enylspiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00818542
Property Insights of BAS 00818542
The XLogP value of 5.3564 indicates that BAS 00818542 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 00818542 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00818542 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 00818542?
The CAS number of BAS 00818542 is 327169-63-1.
What is the molecular formula of BAS 00818542?
The molecular formula of BAS 00818542 is C23H28N2OS.
What is the molecular weight of BAS 00818542?
The molecular weight of BAS 00818542 is 380.19 g/mol.
Where can I buy BAS 00818542?
You can request a quote for BAS 00818542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00818542?
Yes, KEHONG BIO provides custom synthesis services for BAS 00818542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.