(S)-3'-Hydroxy-N-methylcoclaurine
TL;DR: (S)-3'-Hydroxy-N-methylcoclaurine (CAS 1936-17-0) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzene-1,2-diol
Also Known As: (S)-3'-Hydroxy-N-methylcoclaurine, 3'-Hydroxy-N-methyl-(S)-coclaurine, (S)-3-hydroxy-N-methylcoclaurine, 3'-hydroxy-(S)-N-methylcoclaurine, 3 -Hydroxy-N-methylcoclaurine
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 1936-17-0 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)O)O)O)OC |
| InChIKey | DAUPWJBRVZCBQB-AWEZNQCLSA-N |
Product Overview
(S)-3'-Hydroxy-N-methylcoclaurine (CAS 1936-17-0), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: 4-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzene-1,2-diol.
Chemical Property Profile of (S)-3'-Hydroxy-N-methylcoclaurine
Property Insights of (S)-3'-Hydroxy-N-methylcoclaurine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3'-Hydroxy-N-methylcoclaurine. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3'-Hydroxy-N-methylcoclaurine. Following Lipinski's Rule of Five, (S)-3'-Hydroxy-N-methylcoclaurine has 3 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 (S)-3'-Hydroxy-N-methylcoclaurine?
The CAS number of (S)-3'-Hydroxy-N-methylcoclaurine is 1936-17-0.
What is the molecular formula of (S)-3'-Hydroxy-N-methylcoclaurine?
The molecular formula of (S)-3'-Hydroxy-N-methylcoclaurine is C18H21NO4.
What is the molecular weight of (S)-3'-Hydroxy-N-methylcoclaurine?
The molecular weight of (S)-3'-Hydroxy-N-methylcoclaurine is 315.15 g/mol.
Where can I buy (S)-3'-Hydroxy-N-methylcoclaurine?
You can request a quote for (S)-3'-Hydroxy-N-methylcoclaurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-3'-Hydroxy-N-methylcoclaurine?
Yes, KEHONG BIO provides custom synthesis services for (S)-3'-Hydroxy-N-methylcoclaurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.