1,4-Dimethyl-3,4-dihydroisoquinoline
TL;DR: 1,4-Dimethyl-3,4-dihydroisoquinoline (CAS 59261-37-9) is a chemical compound with molecular formula C11H13N and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethyl-3,4-dihydroisoquinoline
Also Known As: 1,4-dimethyl-3,4-dihydroisoquinoline, 1,4-DIMETHYL-3,4-DIHYDRO-ISOQUINOLINE, Isoquinoline,3,4-dihydro-1,4-dimethyl-, Isoquinoline, 3,4-dihydro-1,4-dimethyl-
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 12.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 59261-37-9 |
|---|---|
| SMILES | CC1CN=C(C2=CC=CC=C12)C |
| InChIKey | BEGGTDKXWFOTME-UHFFFAOYSA-N |
Product Overview
1,4-Dimethyl-3,4-dihydroisoquinoline (CAS 59261-37-9), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: 1,4-dimethyl-3,4-dihydroisoquinoline.
Chemical Property Profile of 1,4-Dimethyl-3,4-dihydroisoquinoline
Property Insights of 1,4-Dimethyl-3,4-dihydroisoquinoline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl-3,4-dihydroisoquinoline. With a topological polar surface area (TPSA) of 12.4 Ų, 1,4-Dimethyl-3,4-dihydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyl-3,4-dihydroisoquinoline has 0 hydrogen bond donor(s) and 1 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 1,4-Dimethyl-3,4-dihydroisoquinoline?
The CAS number of 1,4-Dimethyl-3,4-dihydroisoquinoline is 59261-37-9.
What is the molecular formula of 1,4-Dimethyl-3,4-dihydroisoquinoline?
The molecular formula of 1,4-Dimethyl-3,4-dihydroisoquinoline is C11H13N.
What is the molecular weight of 1,4-Dimethyl-3,4-dihydroisoquinoline?
The molecular weight of 1,4-Dimethyl-3,4-dihydroisoquinoline is 159.10 g/mol.
Where can I buy 1,4-Dimethyl-3,4-dihydroisoquinoline?
You can request a quote for 1,4-Dimethyl-3,4-dihydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-3,4-dihydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-3,4-dihydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.