N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
TL;DR: N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CAS 34616-99-4) is a chemical compound with molecular formula C12H15ClN2 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
Also Known As: N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine, (4-chlorophenyl)-2,3-dihydro-4H,5H,6H-azepin-7-ylamine, REGID_for_CID_659842
| Molecular Formula | C12H15ClN2 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.09238 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 34616-99-4 |
|---|---|
| SMILES | C1CCC(=NCC1)NC2=CC=C(C=C2)Cl |
| InChIKey | ZUBMDAMPFXPZTQ-UHFFFAOYSA-N |
Product Overview
N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CAS 34616-99-4), with molecular formula C12H15ClN2 and molecular weight 222.09 g/mol. IUPAC: N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
Chemical Property Profile of N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
Property Insights of N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine. With a topological polar surface area (TPSA) of 24.4 Ų, N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has 1 hydrogen bond donor(s) and 1 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 N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The CAS number of N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is 34616-99-4.
What is the molecular formula of N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The molecular formula of N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is C12H15ClN2.
What is the molecular weight of N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The molecular weight of N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is 222.09 g/mol.
Where can I buy N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
You can request a quote for N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.