![Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro- structure](/static/products/6217/62176-00-5.webp)
Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro-
TL;DR: Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro- (CAS 62176-00-5) is a chemical compound with molecular formula C16H31N3O2 and molecular weight 297.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexyl-2-methyl-4-nitro-1,3,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine
Also Known As: Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro-, 4-Hexyl-2-methyl-4-nitrodecahydropyrido[1,2-a][1,4]diazepine, 4-hexyl-2-methyl-4-nitro-1,3,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine, 4-hexyl-2-methyl-4-nitro-decahydro-pyrido[1,2-a][1,4]diazepine
| Molecular Formula | C16H31N3O2 |
|---|---|
| Molecular Weight | 297.24 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.24164 |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 62176-00-5 |
|---|---|
| SMILES | CCCCCCC1(CN(CC2CCCCN2C1)C)[N+](=O)[O-] |
| InChIKey | WRYJNVMPIOBMEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro- (CAS 62176-00-5), with molecular formula C16H31N3O2 and molecular weight 297.24 g/mol. IUPAC: 4-hexyl-2-methyl-4-nitro-1,3,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine.
Chemical Property Profile of Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro-
Property Insights of Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro-
The XLogP value of 3.5 indicates that Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro- has 0 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 Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro-?
The CAS number of Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro- is 62176-00-5.
What is the molecular formula of Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro-?
The molecular formula of Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro- is C16H31N3O2.
What is the molecular weight of Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro-?
The molecular weight of Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro- is 297.24 g/mol.
Where can I buy Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro-?
You can request a quote for Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Pyrido[1,2-a][1,4]diazepine, 4-hexyldecahydro-2-methyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.