5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis-
TL;DR: 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis- (CAS 72575-53-2) is a chemical compound with molecular formula C19H23ClN2O3 and molecular weight 362.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,7S)-N,N-dimethyl-5-(2-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine;hydrochloride
Also Known As: 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis-, cis-N,N-Dimethyl-5-((2-nitrophenyl)oxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-7-amine HCl, (5S,7S)-N,N-dimethyl-5-(2-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine hydrochloride, (5S,7S)-N,N-dimethyl-5-(2-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine,hydrochloride, (5S,7S)-N,N-Dimethyl-5-(2-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine--hydrogen chloride (1/1)
| Molecular Formula | C19H23ClN2O3 |
|---|---|
| Molecular Weight | 362.14 g/mol |
| LogP | 4.4032 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.1397 |
| Heavy Atoms | 25 |
| Complexity | 736.1141 |
Chemical Identifiers
| CAS Number | 72575-53-2 |
|---|---|
| SMILES | CN(C)[C@H]1CCC2=CC=CC=C2[C@H](C1)OC3=CC=CC=C3[N+](=O)[O-].Cl |
Product Overview
5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis- (CAS 72575-53-2), with molecular formula C19H23ClN2O3 and molecular weight 362.14 g/mol. IUPAC: (5S,7S)-N,N-dimethyl-5-(2-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine;hydrochloride.
Chemical Property Profile of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis-
Property Insights of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis-
The XLogP value of 4.4032 indicates that 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis- 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 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis-?
The CAS number of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis- is 72575-53-2.
What is the molecular formula of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis-?
The molecular formula of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis- is C19H23ClN2O3.
What is the molecular weight of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis-?
The molecular weight of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis- is 362.14 g/mol.
Where can I buy 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis-?
You can request a quote for 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis-?
Yes, KEHONG BIO provides custom synthesis services for 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-N,N-dimethyl-5-(2-nitrophenoxy)-, monohydrochloride, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.