BAS 00670228
TL;DR: BAS 00670228 (CAS 352444-11-2) is a chemical compound with molecular formula C21H30N2O2S and molecular weight 374.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8a-hydroxy-1-[(4-methoxyphenyl)methyl]spiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thione
Also Known As: BAS 00670228, 8a'-hydroxy-1'-(4-methoxybenzyl)hexahydro-1'H-spiro[cyclohexane-1,4'-quinazoline]-2'(3'H)-thione, 8a-hydroxy-1-[(4-methoxyphenyl)methyl]spiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thione, 8'a-hydroxy-1'-(4-methoxybenzyl)-1',3',4'a,5',6',7',8',8'a-octahydrospiro[cyclohexane-1,4'-quinazoline]-2'-thione
| Molecular Formula | C21H30N2O2S |
|---|---|
| Molecular Weight | 374.20 g/mol |
| LogP | 3.967 |
| Topological Polar Surface Area | 44.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.2028 |
| Heavy Atoms | 26 |
| Complexity | 656.47986 |
Chemical Identifiers
| CAS Number | 352444-11-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=S)NC3(CCCCC3)C4C2(CCCC4)O |
Product Overview
BAS 00670228 (CAS 352444-11-2), with molecular formula C21H30N2O2S and molecular weight 374.20 g/mol. IUPAC: 8a-hydroxy-1-[(4-methoxyphenyl)methyl]spiro[3,4a,5,6,7,8-hexahydroquinazoline-4,1'-cyclohexane]-2-thione.
Chemical Property Profile of BAS 00670228
Property Insights of BAS 00670228
The XLogP value of 3.967 indicates that BAS 00670228 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.73 Ų, BAS 00670228 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00670228 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00670228?
The CAS number of BAS 00670228 is 352444-11-2.
What is the molecular formula of BAS 00670228?
The molecular formula of BAS 00670228 is C21H30N2O2S.
What is the molecular weight of BAS 00670228?
The molecular weight of BAS 00670228 is 374.20 g/mol.
Where can I buy BAS 00670228?
You can request a quote for BAS 00670228 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00670228?
Yes, KEHONG BIO provides custom synthesis services for BAS 00670228 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.