AS-871/42217328
TL;DR: AS-871/42217328 (CAS 620590-19-4) is a chemical compound with molecular formula C18H19BrN2O2S and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoic acid
Also Known As: AS-871/42217328, 4-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydroquinazolin-1(4H)-yl)butanoic acid, 4-[2-(4-bromophenyl)-4-sulfanylidene-1,4,5,6,7,8-hexahydroquinazolin-1-yl]butanoic acid, 4-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoic Acid, 4-(2-(4-bromophenyl)-4-thioxo-5,6,7,8-tetrahydro-1(4H)-quinazolinyl)butanoic acid
| Molecular Formula | C18H19BrN2O2S |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 4.78569 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.03506 |
| Heavy Atoms | 24 |
| Complexity | 815.00385 |
Chemical Identifiers
| CAS Number | 620590-19-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=S)N=C(N2CCCC(=O)O)C3=CC=C(C=C3)Br |
Product Overview
AS-871/42217328 (CAS 620590-19-4), with molecular formula C18H19BrN2O2S and molecular weight 406.04 g/mol. IUPAC: 4-[2-(4-bromophenyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-1-yl]butanoic acid.
Chemical Property Profile of AS-871/42217328
Property Insights of AS-871/42217328
The XLogP value of 4.78569 indicates that AS-871/42217328 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, AS-871/42217328 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AS-871/42217328 has 1 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 AS-871/42217328?
The CAS number of AS-871/42217328 is 620590-19-4.
What is the molecular formula of AS-871/42217328?
The molecular formula of AS-871/42217328 is C18H19BrN2O2S.
What is the molecular weight of AS-871/42217328?
The molecular weight of AS-871/42217328 is 406.04 g/mol.
Where can I buy AS-871/42217328?
You can request a quote for AS-871/42217328 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/42217328?
Yes, KEHONG BIO provides custom synthesis services for AS-871/42217328 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.