1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one
TL;DR: 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one (CAS 7381-13-7) is a chemical compound with molecular formula C20H24N2O4 and molecular weight 356.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one
Also Known As: 1,1'-Isophthaloylbis(azepan-2-one), 4-Hydroxymephenytoin, 1,1-Isophthaloylbiscaprolactam, 1,1'-Isophthaloylbiscaprolactam, isophthaloyl bis-caprolactam
| Molecular Formula | C20H24N2O4 |
|---|---|
| Molecular Weight | 356.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.1736 |
| Heavy Atoms | 26 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 7381-13-7 |
|---|---|
| SMILES | C1CCC(=O)N(CC1)C(=O)C2=CC(=CC=C2)C(=O)N3CCCCCC3=O |
| InChIKey | HXZRLUTUNSQNCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one (CAS 7381-13-7), with molecular formula C20H24N2O4 and molecular weight 356.17 g/mol. IUPAC: 1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one.
Chemical Property Profile of 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one
Property Insights of 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one. Following Lipinski's Rule of Five, 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one has 0 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 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one?
The CAS number of 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one is 7381-13-7.
What is the molecular formula of 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one?
The molecular formula of 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one is C20H24N2O4.
What is the molecular weight of 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one?
The molecular weight of 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one is 356.17 g/mol.
Where can I buy 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one?
You can request a quote for 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-(1,3-Phenylenedicarbonyl)diazepan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.