ChemDiv1_013078
TL;DR: ChemDiv1_013078 (CAS 443349-36-8) is a chemical compound with molecular formula C28H24N6O4S and molecular weight 540.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[(3-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_013078, F6548-4102, 1-(6-((3-nitrobenzyl)thio)benzo[4,5]imidazo[1,2-c]quinazoline-3-carbonyl)piperidine-4-carboxamide, 1-(9-{[(3-nitrophenyl)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-[(3-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide
| Molecular Formula | C28H24N6O4S |
|---|---|
| Molecular Weight | 540.16 g/mol |
| LogP | 4.5737 |
| Topological Polar Surface Area | 136.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 540.15796 |
| Heavy Atoms | 39 |
| Complexity | 1776.944 |
Chemical Identifiers
| CAS Number | 443349-36-8 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC6=CC(=CC=C6)[N+](=O)[O-] |
Product Overview
ChemDiv1_013078 (CAS 443349-36-8), with molecular formula C28H24N6O4S and molecular weight 540.16 g/mol. IUPAC: 1-[6-[(3-nitrophenyl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_013078
Property Insights of ChemDiv1_013078
The XLogP value of 4.5737 indicates that ChemDiv1_013078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013078. Following Lipinski's Rule of Five, ChemDiv1_013078 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013078?
The CAS number of ChemDiv1_013078 is 443349-36-8.
What is the molecular formula of ChemDiv1_013078?
The molecular formula of ChemDiv1_013078 is C28H24N6O4S.
What is the molecular weight of ChemDiv1_013078?
The molecular weight of ChemDiv1_013078 is 540.16 g/mol.
Where can I buy ChemDiv1_013078?
You can request a quote for ChemDiv1_013078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013078?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.