BAS 00335774
TL;DR: BAS 00335774 (CAS 179946-01-1) is a chemical compound with molecular formula C24H24N2O2S and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methoxyphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: BAS 00335774, 3-(4-methoxyphenyl)-2-thioxo-2,3-dihydro-1H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one, AJ-292/34008026, A0517/0023940, 3-(4-methoxyphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
| Molecular Formula | C24H24N2O2S |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 5.32869 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 404.15585 |
| Heavy Atoms | 29 |
| Complexity | 1184.7379 |
Chemical Identifiers
| CAS Number | 179946-01-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)NC2=S |
Product Overview
BAS 00335774 (CAS 179946-01-1), with molecular formula C24H24N2O2S and molecular weight 404.16 g/mol. IUPAC: 3-(4-methoxyphenyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of BAS 00335774
Property Insights of BAS 00335774
The XLogP value of 5.32869 indicates that BAS 00335774 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, BAS 00335774 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00335774 has 1 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 00335774?
The CAS number of BAS 00335774 is 179946-01-1.
What is the molecular formula of BAS 00335774?
The molecular formula of BAS 00335774 is C24H24N2O2S.
What is the molecular weight of BAS 00335774?
The molecular weight of BAS 00335774 is 404.16 g/mol.
Where can I buy BAS 00335774?
You can request a quote for BAS 00335774 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00335774?
Yes, KEHONG BIO provides custom synthesis services for BAS 00335774 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.