BAS 00690691
TL;DR: BAS 00690691 (CAS 330454-28-9) is a chemical compound with molecular formula C27H30N2O2S and molecular weight 446.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-3-(4-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: BAS 00690691, 2-butylsulfanyl-3-(4-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, AL-281/36997017, 2-(butylsulfanyl)-3-(4-methoxyphenyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclopentane)-4(3H)-one, 2-(butylsulfanyl)-3-(4-methoxyphenyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4(6H)-one
| Molecular Formula | C27H30N2O2S |
|---|---|
| Molecular Weight | 446.20 g/mol |
| LogP | 6.1682 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.2028 |
| Heavy Atoms | 32 |
| Complexity | 1177.251 |
Chemical Identifiers
| CAS Number | 330454-28-9 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C(=O)N1C3=CC=C(C=C3)OC)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
BAS 00690691 (CAS 330454-28-9), with molecular formula C27H30N2O2S and molecular weight 446.20 g/mol. IUPAC: 2-butylsulfanyl-3-(4-methoxyphenyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of BAS 00690691
Property Insights of BAS 00690691
The XLogP value of 6.1682 indicates that BAS 00690691 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 00690691 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00690691 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 00690691?
The CAS number of BAS 00690691 is 330454-28-9.
What is the molecular formula of BAS 00690691?
The molecular formula of BAS 00690691 is C27H30N2O2S.
What is the molecular weight of BAS 00690691?
The molecular weight of BAS 00690691 is 446.20 g/mol.
Where can I buy BAS 00690691?
You can request a quote for BAS 00690691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00690691?
Yes, KEHONG BIO provides custom synthesis services for BAS 00690691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.