9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
TL;DR: 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one (CAS 328546-65-2) is a chemical compound with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
Also Known As: 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one, 9-NITRO-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPIN-5(2H)-ONE, 9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one, 9-NITRO-1,2,3,4-TETRAHYDRO-BENZO[E][1,4]DIAZEPIN-5-ONE, 9-NITRO-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPIN-5-ONE
| Molecular Formula | C9H9N3O3 |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | 0.7501 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.06439 |
| Heavy Atoms | 15 |
| Complexity | 430.61078 |
Chemical Identifiers
| CAS Number | 328546-65-2 |
|---|---|
| SMILES | C1CNC(=O)C2=C(N1)C(=CC=C2)[N+](=O)[O-] |
Product Overview
9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one (CAS 328546-65-2), with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol. IUPAC: 9-nitro-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one.
Chemical Property Profile of 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
Property Insights of 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one
The XLogP value of 0.7501 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one. Following Lipinski's Rule of Five, 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one has 2 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 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one?
The CAS number of 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one is 328546-65-2.
What is the molecular formula of 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one?
The molecular formula of 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one is C9H9N3O3.
What is the molecular weight of 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one?
The molecular weight of 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one is 207.06 g/mol.
Where can I buy 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one?
You can request a quote for 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 9-Nitro-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.