Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)-
TL;DR: Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)- (CAS 53525-94-3) is a chemical compound with molecular formula C17H22Cl2N2O and molecular weight 340.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4-dichlorobenzamide
Also Known As: Isoquinoline, decahydro-8-(3,4-dichlorobenzamido)-2-methyl-, (E)-, trans-Decahydro-8-(3,4-dichlorobenzamido)-2-methylisoquinoline, BENZAMIDE, N-(DECAHYDRO-2-METHYLISOQUINOLIN-8-YL)-3,4-DICHLORO-, (trans)-, trans-N-(Decahydro-2-methylisoquinolin-8-yl)-3,4-dichlorobenzamide, N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4-dichlorobenzamide
| Molecular Formula | C17H22Cl2N2O |
|---|---|
| Molecular Weight | 340.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.11093 |
| Heavy Atoms | 22 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 53525-94-3 |
|---|---|
| SMILES | CN1CC[C@H]2CCCC([C@@H]2C1)NC(=O)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | MWEVQAAGLFTBSC-BXKKICEVSA-N |
Product Overview
Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)- (CAS 53525-94-3), with molecular formula C17H22Cl2N2O and molecular weight 340.11 g/mol. IUPAC: N-[(4aR,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-yl]-3,4-dichlorobenzamide.
Chemical Property Profile of Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)-
Property Insights of Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)-
The XLogP value of 4.2 indicates that Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)- has 1 hydrogen bond donor(s) and 2 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 Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)-?
The CAS number of Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)- is 53525-94-3.
What is the molecular formula of Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)-?
The molecular formula of Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)- is C17H22Cl2N2O.
What is the molecular weight of Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)-?
The molecular weight of Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)- is 340.11 g/mol.
Where can I buy Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)-?
You can request a quote for Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-(decahydro-2-methylisoquinolin-8-yl)-3,4-dichloro-, (trans)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.