ChemDiv3_012729
TL;DR: ChemDiv3_012729 (CAS 403728-01-8) 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.
3-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv3_012729, F6548-4305, 3-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 3-(4-(3,5-dimethylpiperidine-1-carbonyl)phenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C22H23N3O2S |
|---|---|
| Molecular Weight | 393.15 g/mol |
| LogP | 4.16639 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.1511 |
| Heavy Atoms | 28 |
| Complexity | 1136.8959 |
Chemical Identifiers
| CAS Number | 403728-01-8 |
|---|---|
| SMILES | CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S)C |
Product Overview
ChemDiv3_012729 (CAS 403728-01-8), with molecular formula C22H23N3O2S and molecular weight 393.15 g/mol. IUPAC: 3-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv3_012729
Property Insights of ChemDiv3_012729
The XLogP value of 4.16639 indicates that ChemDiv3_012729 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, ChemDiv3_012729 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_012729 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 ChemDiv3_012729?
The CAS number of ChemDiv3_012729 is 403728-01-8.
What is the molecular formula of ChemDiv3_012729?
The molecular formula of ChemDiv3_012729 is C22H23N3O2S.
What is the molecular weight of ChemDiv3_012729?
The molecular weight of ChemDiv3_012729 is 393.15 g/mol.
Where can I buy ChemDiv3_012729?
You can request a quote for ChemDiv3_012729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012729?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.