1.beta.H-Romneine
TL;DR: 1.beta.H-Romneine (CAS 5544-50-3) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dimethoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: 1.beta.H-Romneine, 5-(3,4-DIMETHOXYBENZYL)-6-METHYL-5,6,7,8-TETRAHYDRO-[1,3]DIOXOLO[4,5-G]ISOQUINOLINE, 5-[(3,4-dimethoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline, 5-[(3,4-dimethoxyphenyl)methyl]-5,6,7,8-tetrahydro-6-methyl-1 ,3-dioxolo[4,5-g]isoquinoline
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 5544-50-3 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C=C2C1CC4=CC(=C(C=C4)OC)OC)OCO3 |
| InChIKey | SSYRKFOBOISIEN-UHFFFAOYSA-N |
Product Overview
1.beta.H-Romneine (CAS 5544-50-3), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: 5-[(3,4-dimethoxyphenyl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline.
Chemical Property Profile of 1.beta.H-Romneine
Property Insights of 1.beta.H-Romneine
The XLogP value of 3.5 indicates that 1.beta.H-Romneine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, 1.beta.H-Romneine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1.beta.H-Romneine has 0 hydrogen bond donor(s) and 5 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 1.beta.H-Romneine?
The CAS number of 1.beta.H-Romneine is 5544-50-3.
What is the molecular formula of 1.beta.H-Romneine?
The molecular formula of 1.beta.H-Romneine is C20H23NO4.
What is the molecular weight of 1.beta.H-Romneine?
The molecular weight of 1.beta.H-Romneine is 341.16 g/mol.
Where can I buy 1.beta.H-Romneine?
You can request a quote for 1.beta.H-Romneine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1.beta.H-Romneine?
Yes, KEHONG BIO provides custom synthesis services for 1.beta.H-Romneine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.