BAS 01322168
TL;DR: BAS 01322168 (CAS 330827-55-9) is a chemical compound with molecular formula C28H28Cl2N2OS and molecular weight 510.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 01322168, 2-[(3,4-dichlorobenzyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-((3,4-dichlorobenzyl)thio)-3-(2-methylallyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 2-[(3,4-dichlorophenyl)methylthio]-3-(2-methylprop-2-enyl)spiro[3,5,6-trihydro benzo[h]quinazoline-5,1'-cyclohexane]-4-one
| Molecular Formula | C28H28Cl2N2OS |
|---|---|
| Molecular Weight | 510.13 g/mol |
| LogP | 7.8435 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 510.12994 |
| Heavy Atoms | 34 |
| Complexity | 1324.4668 |
Chemical Identifiers
| CAS Number | 330827-55-9 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5=CC(=C(C=C5)Cl)Cl |
Product Overview
BAS 01322168 (CAS 330827-55-9), with molecular formula C28H28Cl2N2OS and molecular weight 510.13 g/mol. IUPAC: 2-[(3,4-dichlorophenyl)methylsulfanyl]-3-(2-methylprop-2-enyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 01322168
Property Insights of BAS 01322168
The XLogP value of 7.8435 indicates that BAS 01322168 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 01322168 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01322168 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 01322168?
The CAS number of BAS 01322168 is 330827-55-9.
What is the molecular formula of BAS 01322168?
The molecular formula of BAS 01322168 is C28H28Cl2N2OS.
What is the molecular weight of BAS 01322168?
The molecular weight of BAS 01322168 is 510.13 g/mol.
Where can I buy BAS 01322168?
You can request a quote for BAS 01322168 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01322168?
Yes, KEHONG BIO provides custom synthesis services for BAS 01322168 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.