4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide
TL;DR: 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide (CAS 396105-45-6) is a chemical compound with molecular formula C19H21F2N3O and molecular weight 345.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide
Also Known As: Peakdale1_000807, 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide, N-(2,4-Difluorophenyl)hexahydro-4-(phenylmethyl)-1H-1,4-diazepine-1-carboxamide
| Molecular Formula | C19H21F2N3O |
|---|---|
| Molecular Weight | 345.17 g/mol |
| LogP | 3.7046 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.16528 |
| Heavy Atoms | 25 |
| Complexity | 723.8641 |
Chemical Identifiers
| CAS Number | 396105-45-6 |
|---|---|
| SMILES | C1CN(CCN(C1)C(=O)NC2=C(C=C(C=C2)F)F)CC3=CC=CC=C3 |
Product Overview
4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide (CAS 396105-45-6), with molecular formula C19H21F2N3O and molecular weight 345.17 g/mol. IUPAC: 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide.
Chemical Property Profile of 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide
Property Insights of 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide
The XLogP value of 3.7046 indicates that 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide has 1 hydrogen bond donor(s) and 2 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 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide?
The CAS number of 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide is 396105-45-6.
What is the molecular formula of 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide?
The molecular formula of 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide is C19H21F2N3O.
What is the molecular weight of 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide?
The molecular weight of 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide is 345.17 g/mol.
Where can I buy 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide?
You can request a quote for 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-N-(2,4-difluorophenyl)-1,4-diazepane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.