ChemDiv1_013254
TL;DR: ChemDiv1_013254 (CAS 422276-95-7) is a chemical compound with molecular formula C27H24N6O2S and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-(pyridin-4-ylmethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_013254, F0916-4300, 1-(9-{[(pyridin-4-yl)methyl]sulfanyl}-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,8,11(16),12,14-octaene-5-carbonyl)piperidine-4-carboxamide, 1-[6-(pyridin-4-ylmethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide, 1-({6-[(pyridin-4-ylmethyl)thio]benzimidazo[1,2-c]quinazolin-3-yl}carbonyl)piperidine-4-carboxamide
| Molecular Formula | C27H24N6O2S |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 4.0605 |
| Topological Polar Surface Area | 106.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.16815 |
| Heavy Atoms | 36 |
| Complexity | 1609.1053 |
Chemical Identifiers
| CAS Number | 422276-95-7 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC6=CC=NC=C6 |
Product Overview
ChemDiv1_013254 (CAS 422276-95-7), with molecular formula C27H24N6O2S and molecular weight 496.17 g/mol. IUPAC: 1-[6-(pyridin-4-ylmethylsulfanyl)benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_013254
Property Insights of ChemDiv1_013254
The XLogP value of 4.0605 indicates that ChemDiv1_013254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013254. Following Lipinski's Rule of Five, ChemDiv1_013254 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 ChemDiv1_013254?
The CAS number of ChemDiv1_013254 is 422276-95-7.
What is the molecular formula of ChemDiv1_013254?
The molecular formula of ChemDiv1_013254 is C27H24N6O2S.
What is the molecular weight of ChemDiv1_013254?
The molecular weight of ChemDiv1_013254 is 496.17 g/mol.
Where can I buy ChemDiv1_013254?
You can request a quote for ChemDiv1_013254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013254?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.