BAS 00608865
TL;DR: BAS 00608865 (CAS 331837-29-7) is a chemical compound with molecular formula C28H38N2O2S and molecular weight 466.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-3-(2,2-dimethyloxan-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00608865, 2-butylsulfanyl-3-(2,2-dimethyloxan-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 2-(butylsulfanyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one, 2-(BUTYLSULFANYL)-3-(2,2-DIMETHYLOXAN-4-YL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOHEXAN]-4-ONE, 2-(butylsulfanyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
| Molecular Formula | C28H38N2O2S |
|---|---|
| Molecular Weight | 466.27 g/mol |
| LogP | 6.6906 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.2654 |
| Heavy Atoms | 33 |
| Complexity | 1068.0525 |
Chemical Identifiers
| CAS Number | 331837-29-7 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00608865 (CAS 331837-29-7), with molecular formula C28H38N2O2S and molecular weight 466.27 g/mol. IUPAC: 2-butylsulfanyl-3-(2,2-dimethyloxan-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00608865
Property Insights of BAS 00608865
The XLogP value of 6.6906 indicates that BAS 00608865 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, BAS 00608865 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00608865 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00608865?
The CAS number of BAS 00608865 is 331837-29-7.
What is the molecular formula of BAS 00608865?
The molecular formula of BAS 00608865 is C28H38N2O2S.
What is the molecular weight of BAS 00608865?
The molecular weight of BAS 00608865 is 466.27 g/mol.
Where can I buy BAS 00608865?
You can request a quote for BAS 00608865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00608865?
Yes, KEHONG BIO provides custom synthesis services for BAS 00608865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.