Irazepine
TL;DR: Irazepine (CAS 71735-92-7) is a chemical compound with molecular formula C18H13ClFN3OS and molecular weight 373.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(2-fluorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one
Also Known As: Irazepine, 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-, 1-(2-Isothiocyantoethyl)-7-chloro-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepine-2-one, 7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-2H-1,4-benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one
| Molecular Formula | C18H13ClFN3OS |
|---|---|
| Molecular Weight | 373.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.0452 |
| Heavy Atoms | 25 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 71735-92-7 |
|---|---|
| SMILES | C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCN=C=S |
| InChIKey | LTKSVYFAUMFQML-UHFFFAOYSA-N |
Product Overview
Irazepine (CAS 71735-92-7), with molecular formula C18H13ClFN3OS and molecular weight 373.05 g/mol. IUPAC: 7-chloro-5-(2-fluorophenyl)-1-(2-isothiocyanatoethyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of Irazepine
Property Insights of Irazepine
The XLogP value of 3.6 indicates that Irazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Irazepine. Following Lipinski's Rule of Five, Irazepine has 0 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 Irazepine?
The CAS number of Irazepine is 71735-92-7.
What is the molecular formula of Irazepine?
The molecular formula of Irazepine is C18H13ClFN3OS.
What is the molecular weight of Irazepine?
The molecular weight of Irazepine is 373.05 g/mol.
Where can I buy Irazepine?
You can request a quote for Irazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Irazepine?
Yes, KEHONG BIO provides custom synthesis services for Irazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.