AB00712562-01
TL;DR: AB00712562-01 (CAS 313395-96-9) is a chemical compound with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
Also Known As: AB00712562-01, 2-{[4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-phenyl-N-(propan-2-yl)acetamide, F0371-0007, 2-((3-allyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-isopropyl-N-phenylacetamide, 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
| Molecular Formula | C22H23N3O2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 4.1162 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.1511 |
| Heavy Atoms | 28 |
| Complexity | 1044.5813 |
Chemical Identifiers
| CAS Number | 313395-96-9 |
|---|---|
| SMILES | CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C |
Product Overview
AB00712562-01 (CAS 313395-96-9), with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol. IUPAC: 2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide.
Chemical Property Profile of AB00712562-01
Property Insights of AB00712562-01
The XLogP value of 4.1162 indicates that AB00712562-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, AB00712562-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00712562-01 has 0 hydrogen bond donor(s) and 4 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 AB00712562-01?
The CAS number of AB00712562-01 is 313395-96-9.
What is the molecular formula of AB00712562-01?
The molecular formula of AB00712562-01 is C22H23N3O2S.
What is the molecular weight of AB00712562-01?
The molecular weight of AB00712562-01 is 393.15 g/mol.
Where can I buy AB00712562-01?
You can request a quote for AB00712562-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00712562-01?
Yes, KEHONG BIO provides custom synthesis services for AB00712562-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.