去烷基氟西泮
TL;DR: 去烷基氟西泮 (CAS 17617-59-3) is a chemical compound with molecular formula C17H15ClFN3O and molecular weight 331.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
去烷基氟西泮
1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
Also Known As: Didesethylflurazepam, Dealkylflurazepam, Desalkylflurazepam, Dideethylflurazepam, N,N-Bisdesethylflurazepam
| Molecular Formula | C17H15ClFN3O |
|---|---|
| Molecular Weight | 331.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.08878 |
| Heavy Atoms | 23 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 17617-59-3 |
|---|---|
| SMILES | C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCN |
| InChIKey | MVAUDJDXZPBWOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
去烷基氟西泮 (CAS 17617-59-3), with molecular formula C17H15ClFN3O and molecular weight 331.09 g/mol. IUPAC: 1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 去烷基氟西泮
Property Insights of 去烷基氟西泮
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 去烷基氟西泮. With a topological polar surface area (TPSA) of 58.7 Ų, 去烷基氟西泮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 去烷基氟西泮 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 去烷基氟西泮?
The CAS number of 去烷基氟西泮 is 17617-59-3.
What is the molecular formula of 去烷基氟西泮?
The molecular formula of 去烷基氟西泮 is C17H15ClFN3O.
What is the molecular weight of 去烷基氟西泮?
The molecular weight of 去烷基氟西泮 is 331.09 g/mol.
Where can I buy 去烷基氟西泮?
You can request a quote for 去烷基氟西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去烷基氟西泮?
Yes, KEHONG BIO provides custom synthesis services for 去烷基氟西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.