3,4-Dihydro-1-methyl-6,7-isoquinolinediol
TL;DR: 3,4-Dihydro-1-methyl-6,7-isoquinolinediol (CAS 4602-81-7) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,4-dihydroisoquinoline-6,7-diol
Also Known As: 1,2-Dehydrosalsolinol, DSAL, Tetrabenazine Impurity 41, 1-methyl-3,4-dihydroisoquinoline-6,7-diol, 3,4-dihydro-1-methyl-6,7-Isoquinolinediol
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 4602-81-7 |
|---|---|
| SMILES | CC1=NCCC2=CC(=C(C=C12)O)O |
| InChIKey | DWHSGRLKLUGKOU-UHFFFAOYSA-N |
Product Overview
3,4-Dihydro-1-methyl-6,7-isoquinolinediol (CAS 4602-81-7), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 1-methyl-3,4-dihydroisoquinoline-6,7-diol.
Chemical Property Profile of 3,4-Dihydro-1-methyl-6,7-isoquinolinediol
Property Insights of 3,4-Dihydro-1-methyl-6,7-isoquinolinediol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-1-methyl-6,7-isoquinolinediol. With a topological polar surface area (TPSA) of 52.8 Ų, 3,4-Dihydro-1-methyl-6,7-isoquinolinediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-1-methyl-6,7-isoquinolinediol has 2 hydrogen bond donor(s) and 3 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 3,4-Dihydro-1-methyl-6,7-isoquinolinediol?
The CAS number of 3,4-Dihydro-1-methyl-6,7-isoquinolinediol is 4602-81-7.
What is the molecular formula of 3,4-Dihydro-1-methyl-6,7-isoquinolinediol?
The molecular formula of 3,4-Dihydro-1-methyl-6,7-isoquinolinediol is C10H11NO2.
What is the molecular weight of 3,4-Dihydro-1-methyl-6,7-isoquinolinediol?
The molecular weight of 3,4-Dihydro-1-methyl-6,7-isoquinolinediol is 177.08 g/mol.
Where can I buy 3,4-Dihydro-1-methyl-6,7-isoquinolinediol?
You can request a quote for 3,4-Dihydro-1-methyl-6,7-isoquinolinediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-1-methyl-6,7-isoquinolinediol?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-1-methyl-6,7-isoquinolinediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.