1,3,4,5-tetrahydro-1H-1,4-diazepine
TL;DR: 1,3,4,5-tetrahydro-1H-1,4-diazepine (CAS 65426-77-9) is a chemical compound with molecular formula C21H18Cl2N2O2 and molecular weight 400.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-chlorobenzoyl)-7-methyl-5-methylidene-2,3-dihydro-1,4-diazepin-1-yl]-(4-chlorophenyl)methanone
Also Known As: 1,3,4,5-tetrahydro-1H-1,4-diazepine, [4-(4-chlorobenzoyl)-7-methyl-5-methylidene-2,3-dihydro-1,4-diazepin-1-yl]-(4-chlorophenyl)methanone, [4-(4-chlorobenzoyl)-7-methyl-5-methylidene-2,3-dihydro-1,4-, 1H-1, 1,4-bis(4-chlorobenzoyl)-2,3,4,5-tetrahydro-7-methyl-5-methylene-, 1,4-Bis(p-chlorobenzoyl)-5-methylene-7-methyl-2,3,4, 5-tetrahydro-1H-1,4-diazepine
| Molecular Formula | C21H18Cl2N2O2 |
|---|---|
| Molecular Weight | 400.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.07452 |
| Heavy Atoms | 27 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 65426-77-9 |
|---|---|
| SMILES | CC1=CC(=C)N(CCN1C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl |
| InChIKey | MSDVLJAXAAJWQT-UHFFFAOYSA-N |
Product Overview
1,3,4,5-tetrahydro-1H-1,4-diazepine (CAS 65426-77-9), with molecular formula C21H18Cl2N2O2 and molecular weight 400.07 g/mol. IUPAC: [4-(4-chlorobenzoyl)-7-methyl-5-methylidene-2,3-dihydro-1,4-diazepin-1-yl]-(4-chlorophenyl)methanone.
Chemical Property Profile of 1,3,4,5-tetrahydro-1H-1,4-diazepine
Property Insights of 1,3,4,5-tetrahydro-1H-1,4-diazepine
The XLogP value of 4.8 indicates that 1,3,4,5-tetrahydro-1H-1,4-diazepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, 1,3,4,5-tetrahydro-1H-1,4-diazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4,5-tetrahydro-1H-1,4-diazepine has 0 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 1,3,4,5-tetrahydro-1H-1,4-diazepine?
The CAS number of 1,3,4,5-tetrahydro-1H-1,4-diazepine is 65426-77-9.
What is the molecular formula of 1,3,4,5-tetrahydro-1H-1,4-diazepine?
The molecular formula of 1,3,4,5-tetrahydro-1H-1,4-diazepine is C21H18Cl2N2O2.
What is the molecular weight of 1,3,4,5-tetrahydro-1H-1,4-diazepine?
The molecular weight of 1,3,4,5-tetrahydro-1H-1,4-diazepine is 400.07 g/mol.
Where can I buy 1,3,4,5-tetrahydro-1H-1,4-diazepine?
You can request a quote for 1,3,4,5-tetrahydro-1H-1,4-diazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,5-tetrahydro-1H-1,4-diazepine?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,5-tetrahydro-1H-1,4-diazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.