AB00764325-01
TL;DR: AB00764325-01 (CAS 5681-81-2) is a chemical compound with molecular formula C23H25N3O4S and molecular weight 439.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
Also Known As: AB00764325-01, N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide, N-(benzo[1,3]dioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide, N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}propanamide
| Molecular Formula | C23H25N3O4S |
|---|---|
| Molecular Weight | 439.16 g/mol |
| LogP | 3.5782 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.1566 |
| Heavy Atoms | 31 |
| Complexity | 1175.1855 |
Chemical Identifiers
| CAS Number | 5681-81-2 |
|---|---|
| SMILES | CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
AB00764325-01 (CAS 5681-81-2), with molecular formula C23H25N3O4S and molecular weight 439.16 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide.
Chemical Property Profile of AB00764325-01
Property Insights of AB00764325-01
The XLogP value of 3.5782 indicates that AB00764325-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00764325-01. Following Lipinski's Rule of Five, AB00764325-01 has 1 hydrogen bond donor(s) and 6 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 AB00764325-01?
The CAS number of AB00764325-01 is 5681-81-2.
What is the molecular formula of AB00764325-01?
The molecular formula of AB00764325-01 is C23H25N3O4S.
What is the molecular weight of AB00764325-01?
The molecular weight of AB00764325-01 is 439.16 g/mol.
Where can I buy AB00764325-01?
You can request a quote for AB00764325-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00764325-01?
Yes, KEHONG BIO provides custom synthesis services for AB00764325-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.