ChemDiv1_013120
TL;DR: ChemDiv1_013120 (CAS 443349-34-6) is a chemical compound with molecular formula C20H17N3O4S and molecular weight 395.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(2-ethoxy-2-oxoethyl)sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxylate
Also Known As: ChemDiv1_013120, F0913-3417, methyl 9-[(2-ethoxy-2-oxoethyl)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-(2-ethoxy-2-oxoethyl)sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxylate, methyl 6-((2-ethoxy-2-oxoethyl)thio)benzo[4,5]imidazo[1,2-c]quinazoline-3-carboxylate
| Molecular Formula | C20H17N3O4S |
|---|---|
| Molecular Weight | 395.09 g/mol |
| LogP | 3.4775 |
| Topological Polar Surface Area | 82.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.09396 |
| Heavy Atoms | 28 |
| Complexity | 1218.4778 |
Chemical Identifiers
| CAS Number | 443349-34-6 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C3=NC4=CC=CC=C4N31 |
Product Overview
ChemDiv1_013120 (CAS 443349-34-6), with molecular formula C20H17N3O4S and molecular weight 395.09 g/mol. IUPAC: methyl 6-(2-ethoxy-2-oxoethyl)sulfanylbenzimidazolo[1,2-c]quinazoline-3-carboxylate.
Chemical Property Profile of ChemDiv1_013120
Property Insights of ChemDiv1_013120
The XLogP value of 3.4775 indicates that ChemDiv1_013120 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.79 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013120. Following Lipinski's Rule of Five, ChemDiv1_013120 has 0 hydrogen bond donor(s) and 7 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_013120?
The CAS number of ChemDiv1_013120 is 443349-34-6.
What is the molecular formula of ChemDiv1_013120?
The molecular formula of ChemDiv1_013120 is C20H17N3O4S.
What is the molecular weight of ChemDiv1_013120?
The molecular weight of ChemDiv1_013120 is 395.09 g/mol.
Where can I buy ChemDiv1_013120?
You can request a quote for ChemDiv1_013120 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013120?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013120 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.