hydrocotarnine hydrochloride
TL;DR: hydrocotarnine hydrochloride (CAS 5985-55-7) is a chemical compound with molecular formula C12H16ClNO3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
Also Known As: hydrocotarnine hydrochloride, Hydrocotarnine, Hydrocotarnine hydrochloride anhydrous, 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride, 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrochloride (1:1)
| Molecular Formula | C12H16ClNO3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 1.8336 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.08188 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 5985-55-7 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1)OC)OCO3.Cl |
| InChIKey | RIRUUBOQEZYITM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
hydrocotarnine hydrochloride (CAS 5985-55-7), with molecular formula C12H16ClNO3 and molecular weight 257.08 g/mol. IUPAC: 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride.
Chemical Property Profile of hydrocotarnine hydrochloride
Property Insights of hydrocotarnine hydrochloride
The XLogP value of 1.8336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for hydrocotarnine hydrochloride. With a topological polar surface area (TPSA) of 30.9 Ų, hydrocotarnine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, hydrocotarnine hydrochloride has 1 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 hydrocotarnine hydrochloride?
The CAS number of hydrocotarnine hydrochloride is 5985-55-7.
What is the molecular formula of hydrocotarnine hydrochloride?
The molecular formula of hydrocotarnine hydrochloride is C12H16ClNO3.
What is the molecular weight of hydrocotarnine hydrochloride?
The molecular weight of hydrocotarnine hydrochloride is 257.08 g/mol.
Where can I buy hydrocotarnine hydrochloride?
You can request a quote for hydrocotarnine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for hydrocotarnine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for hydrocotarnine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.