5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis-
TL;DR: 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis- (CAS 72575-58-7) is a chemical compound with molecular formula C19H22Cl2N2O3 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,7R)-3-chloro-N,N-dimethyl-5-(4-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-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis-, (5R,7R)-3-chloro-N,N-dimethyl-5-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine hydrochloride, (7R,9R)-2-Chloro-N,N-dimethyl-9-(4-nitrophenoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine--hydrogen chloride (1/1), RefChem:305330
| Molecular Formula | C19H22Cl2N2O3 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 5.0566 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.10074 |
| Heavy Atoms | 26 |
| Complexity | 765.8796 |
Chemical Identifiers
| CAS Number | 72575-58-7 |
|---|---|
| SMILES | CN(C)[C@@H]1CCC2=C(C=C(C=C2)Cl)[C@@H](C1)OC3=CC=C(C=C3)[N+](=O)[O-].Cl |
Product Overview
5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis- (CAS 72575-58-7), with molecular formula C19H22Cl2N2O3 and molecular weight 396.10 g/mol. IUPAC: (5R,7R)-3-chloro-N,N-dimethyl-5-(4-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-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis-
Property Insights of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis-
The XLogP value of 5.0566 indicates that 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-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-2-chloro-N,N-dimethyl-9-(4-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-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis-?
The CAS number of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis- is 72575-58-7.
What is the molecular formula of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis-?
The molecular formula of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis- is C19H22Cl2N2O3.
What is the molecular weight of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis-?
The molecular weight of 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis- is 396.10 g/mol.
Where can I buy 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis-?
You can request a quote for 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-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-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis-?
Yes, KEHONG BIO provides custom synthesis services for 5H-Benzocyclohepten-7-amine, 6,7,8,9-tetrahydro-2-chloro-N,N-dimethyl-9-(4-nitrophenoxy)-, monohydrochloride, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.