4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro-
TL;DR: 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro- (CAS 191987-81-2) is a chemical compound with molecular formula C9H9N5O3 and molecular weight 235.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one
Also Known As: Zoticasone, 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro-, 3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one, 3,5-Dimethyl-7-nitro-3,5-dihydro-4H-1,2,3,5-benzotetrazepin-4-one, 3,5-dimethyl-7-nitro-4,5-dihydro-3H-1,2,3,5-benzotetrazepin-4-one
| Molecular Formula | C9H9N5O3 |
|---|---|
| Molecular Weight | 235.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.07054 |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 191987-81-2 |
|---|---|
| SMILES | CN1C2=C(C=CC(=C2)[N+](=O)[O-])N=NN(C1=O)C |
| InChIKey | ZEQGHPJMIWTIGT-UHFFFAOYSA-N |
Product Overview
4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro- (CAS 191987-81-2), with molecular formula C9H9N5O3 and molecular weight 235.07 g/mol. IUPAC: 3,5-dimethyl-7-nitro-1,2,3,5-benzotetrazepin-4-one.
Chemical Property Profile of 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro-
Property Insights of 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro-. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro-. Following Lipinski's Rule of Five, 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro- has 0 hydrogen bond donor(s) and 5 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 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro-?
The CAS number of 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro- is 191987-81-2.
What is the molecular formula of 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro-?
The molecular formula of 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro- is C9H9N5O3.
What is the molecular weight of 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro-?
The molecular weight of 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro- is 235.07 g/mol.
Where can I buy 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro-?
You can request a quote for 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,3,5-Benzotetrazepin-4-one, 3,5-dihydro-3,5-dimethyl-7-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.