ChemDiv1_013208
TL;DR: ChemDiv1_013208 (CAS 422276-69-5) is a chemical compound with molecular formula C25H16ClN5O3S and molecular weight 501.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxylate
Also Known As: ChemDiv1_013208, F0916-4287, methyl 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-carboxylate, methyl 6-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxylate, methyl 6-(((7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl)thio)benzo[4,5]imidazo[1,2-c]quinazoline-3-carboxylate
| Molecular Formula | C25H16ClN5O3S |
|---|---|
| Molecular Weight | 501.07 g/mol |
| LogP | 4.7759 |
| Topological Polar Surface Area | 90.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.06622 |
| Heavy Atoms | 35 |
| Complexity | 1863.9833 |
Chemical Identifiers
| CAS Number | 422276-69-5 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C3=NC4=CC=CC=C4N3C(=N2)SCC5=CC(=O)N6C=C(C=CC6=N5)Cl |
Product Overview
ChemDiv1_013208 (CAS 422276-69-5), with molecular formula C25H16ClN5O3S and molecular weight 501.07 g/mol. IUPAC: methyl 6-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]benzimidazolo[1,2-c]quinazoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_013208
Property Insights of ChemDiv1_013208
The XLogP value of 4.7759 indicates that ChemDiv1_013208 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013208. Following Lipinski's Rule of Five, ChemDiv1_013208 has 0 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_013208?
The CAS number of ChemDiv1_013208 is 422276-69-5.
What is the molecular formula of ChemDiv1_013208?
The molecular formula of ChemDiv1_013208 is C25H16ClN5O3S.
What is the molecular weight of ChemDiv1_013208?
The molecular weight of ChemDiv1_013208 is 501.07 g/mol.
Where can I buy ChemDiv1_013208?
You can request a quote for ChemDiv1_013208 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013208?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013208 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.