Gastrofenzin
TL;DR: Gastrofenzin (CAS 89845-17-0) is a chemical compound with molecular formula C19H22Cl2N2O2 and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]carbamate;hydrochloride
Also Known As: Gastrophenzine, gastrofenzin, gastrofensin, Gastrophensin, AN(5)
| Molecular Formula | C19H22Cl2N2O2 |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 4.9075 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.10583 |
| Heavy Atoms | 25 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 89845-17-0 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=CC2=C1CN(CC2C3=CC=C(C=C3)Cl)C.Cl |
| InChIKey | MYXXVPPYQMJHGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gastrofenzin (CAS 89845-17-0), with molecular formula C19H22Cl2N2O2 and molecular weight 380.11 g/mol. IUPAC: ethyl N-[4-(4-chlorophenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]carbamate;hydrochloride.
Chemical Property Profile of Gastrofenzin
Property Insights of Gastrofenzin
The XLogP value of 4.9075 indicates that Gastrofenzin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, Gastrofenzin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gastrofenzin has 2 hydrogen bond donor(s) and 3 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 Gastrofenzin?
The CAS number of Gastrofenzin is 89845-17-0.
What is the molecular formula of Gastrofenzin?
The molecular formula of Gastrofenzin is C19H22Cl2N2O2.
What is the molecular weight of Gastrofenzin?
The molecular weight of Gastrofenzin is 380.11 g/mol.
Where can I buy Gastrofenzin?
You can request a quote for Gastrofenzin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gastrofenzin?
Yes, KEHONG BIO provides custom synthesis services for Gastrofenzin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.