(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate
TL;DR: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate (CAS 326874-50-4) is a chemical compound with molecular formula C13H15ClN4O4 and molecular weight 326.0782 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate
Also Known As: (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate, (4-Chloro-3-nitroanilino){[(3,4,5,6-tetrahydro-2H-azepin-7-yl)amino]oxy}methanone
Technical Specifications
| Molecular Formula | C13H15ClN4O4 |
| Molecular Weight | 326.0782 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 326.0782 Da |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
| SMILES | C1CCC(=NCC1)NOC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | HBVILHAMNIGVNO-UHFFFAOYSA-N |
Chemical Property Profile of (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate
Property Insights of (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate. Following Lipinski's Rule of Five, (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate?
The CAS number of (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate is 326874-50-4.
What is the molecular formula of (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate?
The molecular formula of (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate is C13H15ClN4O4.
What is the molecular weight of (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate?
The molecular weight of (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate is 326.0782 g/mol.
Where can I buy (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate?
You can request a quote for (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate?
Yes, CoreyChem provides custom synthesis services for (3,4,5,6-tetrahydro-2H-azepin-7-ylamino) N-(4-chloro-3-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.