ChemDiv1_013694
TL;DR: ChemDiv1_013694 (CAS 689227-26-7) is a chemical compound with molecular formula C21H19BrN4O2S and molecular weight 470.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide
Also Known As: ChemDiv1_013694, F0920-6672, 2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide, 2-({4-bromo-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaen-9-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide, 2-[(2-bromobenzimidazo[1,2-c]quinazolin-6-yl)thio]-N-(tetrahydrofuran-2-ylmethyl)acetamide
| Molecular Formula | C21H19BrN4O2S |
|---|---|
| Molecular Weight | 470.04 g/mol |
| LogP | 4.1855 |
| Topological Polar Surface Area | 68.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.0412 |
| Heavy Atoms | 29 |
| Complexity | 1219.7081 |
Chemical Identifiers
| CAS Number | 689227-26-7 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CSC2=NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N42 |
Product Overview
ChemDiv1_013694 (CAS 689227-26-7), with molecular formula C21H19BrN4O2S and molecular weight 470.04 g/mol. IUPAC: 2-(2-bromobenzimidazolo[1,2-c]quinazolin-6-yl)sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of ChemDiv1_013694
Property Insights of ChemDiv1_013694
The XLogP value of 4.1855 indicates that ChemDiv1_013694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.52 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013694. Following Lipinski's Rule of Five, ChemDiv1_013694 has 1 hydrogen bond donor(s) and 5 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_013694?
The CAS number of ChemDiv1_013694 is 689227-26-7.
What is the molecular formula of ChemDiv1_013694?
The molecular formula of ChemDiv1_013694 is C21H19BrN4O2S.
What is the molecular weight of ChemDiv1_013694?
The molecular weight of ChemDiv1_013694 is 470.04 g/mol.
Where can I buy ChemDiv1_013694?
You can request a quote for ChemDiv1_013694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013694?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.