5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
TL;DR: 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one (CAS 65533-75-7) is a chemical compound with molecular formula C9H11N3O and molecular weight 177.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Also Known As: 5-amino-3,4-dihydro-1H-1,5-benzodiazepin-2-one, 1-amino-4-oxo-2,3-dihydrobenzodiazepine(1,5), 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one, 5-amino-1H,3H,4H-benzo[b]1,4-diazaperhydroepin-2-one, 2-amino-2,6-diazabicyclo[5.4.0]undeca-7,9,11-trien-5-one
| Molecular Formula | C9H11N3O |
|---|---|
| Molecular Weight | 177.09 g/mol |
| LogP | 0.7089 |
| Topological Polar Surface Area | 58.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.09021 |
| Heavy Atoms | 13 |
| Complexity | 337.38663 |
Chemical Identifiers
| CAS Number | 65533-75-7 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C2NC1=O)N |
Product Overview
5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one (CAS 65533-75-7), with molecular formula C9H11N3O and molecular weight 177.09 g/mol. IUPAC: 5-amino-3,4-dihydro-1H-1,5-benzodiazepin-2-one.
Chemical Property Profile of 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
Property Insights of 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one
The XLogP value of 0.7089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 58.36 Ų, 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one has 2 hydrogen bond donor(s) and 3 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 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one?
The CAS number of 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one is 65533-75-7.
What is the molecular formula of 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one?
The molecular formula of 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one is C9H11N3O.
What is the molecular weight of 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one?
The molecular weight of 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one is 177.09 g/mol.
Where can I buy 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one?
You can request a quote for 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1,3,4,5-tetrahydro-2h-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.