Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)-
TL;DR: Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)- (CAS 66596-71-2) is a chemical compound with molecular formula C19H18ClN3O and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-6-chloro-9-ethoxy-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13),9-pentaene
Also Known As: Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)-, 9-Chloro-7-ethoxy-2-(phenylmethyl)-4,5-dihydroimidazo(4,5,1-jk)(1,4)benzodiazepine, 2-Benzyl-9-chloro-7-ethoxy-4,5-dihydroimidazo[4,5,1-jk][1,4]benzodiazepine, BRN 0838489, RefChem:348806
| Molecular Formula | C19H18ClN3O |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 4.0772 |
| Topological Polar Surface Area | 39.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.11383 |
| Heavy Atoms | 24 |
| Complexity | 915.25665 |
Chemical Identifiers
| CAS Number | 66596-71-2 |
|---|---|
| SMILES | CCOC1=NCCN2C(=NC3=CC(=CC1=C32)Cl)CC4=CC=CC=C4 |
Product Overview
Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)- (CAS 66596-71-2), with molecular formula C19H18ClN3O and molecular weight 339.11 g/mol. IUPAC: 2-benzyl-6-chloro-9-ethoxy-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13),9-pentaene.
Chemical Property Profile of Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)-
Property Insights of Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)-
The XLogP value of 4.0772 indicates that Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.41 Ų, Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)- has 0 hydrogen bond donor(s) and 3 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 Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)-?
The CAS number of Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)- is 66596-71-2.
What is the molecular formula of Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)-?
The molecular formula of Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)- is C19H18ClN3O.
What is the molecular weight of Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)-?
The molecular weight of Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)- is 339.11 g/mol.
Where can I buy Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)-?
You can request a quote for Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Imidazo(4,5,1-jk)(1,4)benzodiazepine, 4,5-dihydro-9-chloro-7-ethoxy-2-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.