ChemDiv1_013166
TL;DR: ChemDiv1_013166 (CAS 443349-38-0) is a chemical compound with molecular formula C30H24ClN7O3S and molecular weight 597.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_013166, F0921-6741, 1-[6-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide, 1-[(6-{[(7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]thio}benzimidazo[1,2-c]quinazolin-3-yl)carbonyl]piperidine-4-carboxamide, 1-{9-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-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
| Molecular Formula | C30H24ClN7O3S |
|---|---|
| Molecular Weight | 597.13 g/mol |
| LogP | 4.3268 |
| Topological Polar Surface Area | 127.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 597.135 |
| Heavy Atoms | 42 |
| Complexity | 2118.105 |
Chemical Identifiers
| CAS Number | 443349-38-0 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C4=NC5=CC=CC=C5N4C(=N3)SCC6=CC(=O)N7C=C(C=CC7=N6)Cl |
Product Overview
ChemDiv1_013166 (CAS 443349-38-0), with molecular formula C30H24ClN7O3S and molecular weight 597.13 g/mol. IUPAC: 1-[6-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carbonyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_013166
Property Insights of ChemDiv1_013166
The XLogP value of 4.3268 indicates that ChemDiv1_013166 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.96 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013166. Following Lipinski's Rule of Five, ChemDiv1_013166 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_013166?
The CAS number of ChemDiv1_013166 is 443349-38-0.
What is the molecular formula of ChemDiv1_013166?
The molecular formula of ChemDiv1_013166 is C30H24ClN7O3S.
What is the molecular weight of ChemDiv1_013166?
The molecular weight of ChemDiv1_013166 is 597.13 g/mol.
Where can I buy ChemDiv1_013166?
You can request a quote for ChemDiv1_013166 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013166?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013166 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.