![[2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester structure](/static/products/885/885952-82-9.png)
[2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester
TL;DR: [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester (CAS 885952-82-9) is a chemical compound with molecular formula C22H23ClFN3O3 and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate
Also Known As: [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester|{2-[7-Chloro-5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-ethyl}-carbamic acid tert-butyl ester|tert-butyl N-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate
| Molecular Formula | C22H23ClFN3O3 |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 4.1878 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.1412 |
| Heavy Atoms | 30 |
| Complexity | 1001.36255 |
Chemical Identifiers
| CAS Number | 885952-82-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F |
Product Overview
[2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester (CAS 885952-82-9), with molecular formula C22H23ClFN3O3 and molecular weight 431.14 g/mol. IUPAC: tert-butyl N-[2-[7-chloro-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate.
Chemical Property Profile of [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester
Property Insights of [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester
The XLogP value of 4.1878 indicates that [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester. Following Lipinski's Rule of Five, [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester has 1 hydrogen bond donor(s) and 4 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 [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester?
The CAS number of [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester is 885952-82-9.
What is the molecular formula of [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester?
The molecular formula of [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester is C22H23ClFN3O3.
What is the molecular weight of [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester?
The molecular weight of [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester is 431.14 g/mol.
Where can I buy [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester?
You can request a quote for [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for [2-[7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepin-1-yl]ethyl]Carbamic acid tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.