1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline
TL;DR: 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline (CAS 41565-97-3) is a chemical compound with molecular formula C12H17N and molecular weight 175.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3-trimethyl-2,4-dihydro-1H-isoquinoline
Also Known As: 1,3,3-TRIMETHYL-1,2,3,4-TETRAHYDROISOQUINOLINE, 1,3,3-trimethyl-2,4-dihydro-1H-isoquinoline, CHEMBRDG-BB4000293, CHEMBRDG-BB 4000293, Isoquinoline, 1,2,3,4-tetrahydro-1,3,3-trimethyl-
| Molecular Formula | C12H17N |
|---|---|
| Molecular Weight | 175.14 g/mol |
| LogP | 2.6719 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.1361 |
| Heavy Atoms | 13 |
| Complexity | 314.65546 |
Chemical Identifiers
| CAS Number | 41565-97-3 |
|---|---|
| SMILES | CC1C2=CC=CC=C2CC(N1)(C)C |
Product Overview
1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline (CAS 41565-97-3), with molecular formula C12H17N and molecular weight 175.14 g/mol. IUPAC: 1,3,3-trimethyl-2,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline
Property Insights of 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline
The XLogP value of 2.6719 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline. With a topological polar surface area (TPSA) of 12.03 Ų, 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline has 1 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 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline?
The CAS number of 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline is 41565-97-3.
What is the molecular formula of 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline?
The molecular formula of 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline is C12H17N.
What is the molecular weight of 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline?
The molecular weight of 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline is 175.14 g/mol.
Where can I buy 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline?
You can request a quote for 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-Trimethyl-1,2,3,4-tetrahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.