N-Methylcalycotomine
TL;DR: N-Methylcalycotomine (CAS 5419-07-8) is a chemical compound with molecular formula C13H19NO3 and molecular weight 237.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanol
Also Known As: N-Methylcalycotomine, KST-1A0135, (S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinemethanol, [(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol, (6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
| Molecular Formula | C13H19NO3 |
|---|---|
| Molecular Weight | 237.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.13649 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 5419-07-8 |
|---|---|
| SMILES | CN1CCC2=CC(=C(C=C2[C@H]1CO)OC)OC |
| InChIKey | MPQNKXAKACYHDY-LLVKDONJSA-N |
Product Overview
N-Methylcalycotomine (CAS 5419-07-8), with molecular formula C13H19NO3 and molecular weight 237.14 g/mol. IUPAC: [(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanol.
Chemical Property Profile of N-Methylcalycotomine
Property Insights of N-Methylcalycotomine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylcalycotomine. With a topological polar surface area (TPSA) of 41.9 Ų, N-Methylcalycotomine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylcalycotomine has 1 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 N-Methylcalycotomine?
The CAS number of N-Methylcalycotomine is 5419-07-8.
What is the molecular formula of N-Methylcalycotomine?
The molecular formula of N-Methylcalycotomine is C13H19NO3.
What is the molecular weight of N-Methylcalycotomine?
The molecular weight of N-Methylcalycotomine is 237.14 g/mol.
Where can I buy N-Methylcalycotomine?
You can request a quote for N-Methylcalycotomine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylcalycotomine?
Yes, KEHONG BIO provides custom synthesis services for N-Methylcalycotomine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.