1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)-
TL;DR: 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)- (CAS 58350-08-6) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-(nitromethylidene)-1,2,3,5-tetrahydro-3-benzazepine
Also Known As: 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)-, 5-20-07-00131 (Beilstein Handbook Reference), 2-(Nitromethylene)-2,3,4,5-tetrahydro-1H-3-benzazepine, (4E)-4-(nitromethylidene)-1,2,3,5-tetrahydro-3-benzazepine, (2E)-2-(Nitromethylidene)-2,3,4,5-tetrahydro-1H-3-benzazepine
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.4929 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 412.80386 |
Chemical Identifiers
| CAS Number | 58350-08-6 |
|---|---|
| SMILES | C1CN/C(=C/[N+](=O)[O-])/CC2=CC=CC=C21 |
Product Overview
1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)- (CAS 58350-08-6), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: (4E)-4-(nitromethylidene)-1,2,3,5-tetrahydro-3-benzazepine.
Chemical Property Profile of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)-
Property Insights of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)-
The XLogP value of 1.4929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)-. With a topological polar surface area (TPSA) of 55.17 Ų, 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)- has 1 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 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)-?
The CAS number of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)- is 58350-08-6.
What is the molecular formula of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)-?
The molecular formula of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)- is C11H12N2O2.
What is the molecular weight of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)-?
The molecular weight of 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)- is 204.09 g/mol.
Where can I buy 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)-?
You can request a quote for 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-3-Benzazepine, 2,3,4,5-tetrahydro-2-(nitromethylene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.