MY 336-a
TL;DR: MY 336-a (CAS 95727-08-5) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R)-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol
Also Known As: MY 336-a, MY336-a, (1S,3R)-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol, 1,2,3,4-Tetrahydro-1,3-bis(hydroxymethyl)-8-hydroxy-6-methyl-7-methoxyisoquinoline, 1,2,3,4-Tetrahydro-8-hydroxy-7-methoxy-6-methylisoquinoline-1beta,3beta-bismethanol
| Molecular Formula | C13H19NO4 |
|---|---|
| Molecular Weight | 253.13 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.13141 |
| Heavy Atoms | 18 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 95727-08-5 |
|---|---|
| SMILES | CC1=CC2=C([C@H](N[C@H](C2)CO)CO)C(=C1OC)O |
| InChIKey | YZJBKEBOMYOVHX-NXEZZACHSA-N |
Product Overview
MY 336-a (CAS 95727-08-5), with molecular formula C13H19NO4 and molecular weight 253.13 g/mol. IUPAC: (1S,3R)-1,3-bis(hydroxymethyl)-7-methoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-8-ol.
Chemical Property Profile of MY 336-a
Property Insights of MY 336-a
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MY 336-a. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for MY 336-a. Following Lipinski's Rule of Five, MY 336-a has 4 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 MY 336-a?
The CAS number of MY 336-a is 95727-08-5.
What is the molecular formula of MY 336-a?
The molecular formula of MY 336-a is C13H19NO4.
What is the molecular weight of MY 336-a?
The molecular weight of MY 336-a is 253.13 g/mol.
Where can I buy MY 336-a?
You can request a quote for MY 336-a directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MY 336-a?
Yes, KEHONG BIO provides custom synthesis services for MY 336-a and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.