Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-
TL;DR: Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro- (CAS 101831-95-2) is a chemical compound with molecular formula C15H19N3O2 and molecular weight 273.14774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(azepan-1-ylmethyl)-5-nitro-1H-indole
Also Known As: 3-(azepan-1-ylmethyl)-5-nitro-1H-indole, 5-Nitro-3-(hexamethyleneiminomethyl)indole, 3-[(azepan-1-yl)methyl]-5-nitro-1H-indole, INDOLE, 3-(HEXAHYDRO-1H-AZEPIN-1-YL)METHYL-5-NITRO-
Technical Specifications
| Molecular Formula | C15H19N3O2 |
| Molecular Weight | 273.14774 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.14774 Da |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
| SMILES | C1CCCN(CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-] |
| InChIKey | ABHQIYOUVFNBEC-UHFFFAOYSA-N |
Chemical Property Profile of Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-
Property Insights of Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-. Following Lipinski's Rule of Five, Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro- 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
What is the CAS number of Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-?
The CAS number of Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro- is 101831-95-2.
What is the molecular formula of Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-?
The molecular formula of Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro- is C15H19N3O2.
What is the molecular weight of Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-?
The molecular weight of Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro- is 273.14774 g/mol.
Where can I buy Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-?
You can request a quote for Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro-?
Yes, CoreyChem provides custom synthesis services for Indole, 3-(hexahydro-1H-azepin-1-yl)methyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.