Hydrohydrastinine, hydrochloride
TL;DR: Hydrohydrastinine, hydrochloride (CAS 5985-04-6) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
Also Known As: Deoxyhydrastinine hydrochloride, Hydrohydrastinine hydrochloride, Hydrohydrastinine, hydrochloride, N-Methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline, hydrochloride, 1,3-DIOXOLO(4,5-g)ISOQUINOLINE, 5,6,7,8-TETRAHYDRO-6-METHYL-, HYDROCHLORIDE
| Molecular Formula | C11H14ClNO2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | -3.01 |
| Topological Polar Surface Area | 22.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 227.0713 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 5985-04-6 |
|---|---|
| SMILES | C[NH+]1CCC2=CC3=C(C=C2C1)OCO3.[Cl-] |
| InChIKey | VVTDRPAONFOQAE-UHFFFAOYSA-N |
Product Overview
Hydrohydrastinine, hydrochloride (CAS 5985-04-6), with molecular formula C11H14ClNO2 and molecular weight 227.07 g/mol. IUPAC: 6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride.
Chemical Property Profile of Hydrohydrastinine, hydrochloride
Property Insights of Hydrohydrastinine, hydrochloride
The XLogP value of -3.01 indicates that Hydrohydrastinine, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 22.9 Ų, Hydrohydrastinine, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrohydrastinine, hydrochloride has 1 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 Hydrohydrastinine, hydrochloride?
The CAS number of Hydrohydrastinine, hydrochloride is 5985-04-6.
What is the molecular formula of Hydrohydrastinine, hydrochloride?
The molecular formula of Hydrohydrastinine, hydrochloride is C11H14ClNO2.
What is the molecular weight of Hydrohydrastinine, hydrochloride?
The molecular weight of Hydrohydrastinine, hydrochloride is 227.07 g/mol.
Where can I buy Hydrohydrastinine, hydrochloride?
You can request a quote for Hydrohydrastinine, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrohydrastinine, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hydrohydrastinine, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.