Methyl Coclaurine
TL;DR: Methyl Coclaurine (CAS 3423-07-2) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
Also Known As: N-Methylcoclaurine, METHYL COCLAURINE, DL-N-methylcoclaurine, (R)-N-Methylcoclaurine, (+/-)-N-methylcoclaurine
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 2.8781 |
| Topological Polar Surface Area | 52.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 666.77765 |
Chemical Identifiers
| CAS Number | 3423-07-2 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)O)OC |
Product Overview
Methyl Coclaurine (CAS 3423-07-2), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: 1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
Chemical Property Profile of Methyl Coclaurine
Property Insights of Methyl Coclaurine
The XLogP value of 2.8781 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl Coclaurine. With a topological polar surface area (TPSA) of 52.93 Ų, Methyl Coclaurine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl Coclaurine has 2 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 Methyl Coclaurine?
The CAS number of Methyl Coclaurine is 3423-07-2.
What is the molecular formula of Methyl Coclaurine?
The molecular formula of Methyl Coclaurine is C18H21NO3.
What is the molecular weight of Methyl Coclaurine?
The molecular weight of Methyl Coclaurine is 299.15 g/mol.
Where can I buy Methyl Coclaurine?
You can request a quote for Methyl Coclaurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl Coclaurine?
Yes, KEHONG BIO provides custom synthesis services for Methyl Coclaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.