(3S)-1,3-dimethyl-3,4-dihydroisoquinoline
TL;DR: (3S)-1,3-dimethyl-3,4-dihydroisoquinoline (CAS 15547-37-2) 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.
(3S)-1,3-dimethyl-3,4-dihydroisoquinoline
Also Known As: Isoquinoline, 3,4-dihydro-1,3-dimethyl-, (3S)-
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 2.4402 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 325.5309 |
Chemical Identifiers
| CAS Number | 15547-37-2 |
|---|---|
| SMILES | C[C@H]1CC2=CC=CC=C2C(=N1)C |
Product Overview
(3S)-1,3-dimethyl-3,4-dihydroisoquinoline (CAS 15547-37-2), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: (3S)-1,3-dimethyl-3,4-dihydroisoquinoline.
Chemical Property Profile of (3S)-1,3-dimethyl-3,4-dihydroisoquinoline
Property Insights of (3S)-1,3-dimethyl-3,4-dihydroisoquinoline
The XLogP value of 2.4402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-1,3-dimethyl-3,4-dihydroisoquinoline. With a topological polar surface area (TPSA) of 12.36 Ų, (3S)-1,3-dimethyl-3,4-dihydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-1,3-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 (3S)-1,3-dimethyl-3,4-dihydroisoquinoline?
The CAS number of (3S)-1,3-dimethyl-3,4-dihydroisoquinoline is 15547-37-2.
What is the molecular formula of (3S)-1,3-dimethyl-3,4-dihydroisoquinoline?
The molecular formula of (3S)-1,3-dimethyl-3,4-dihydroisoquinoline is C11H13N.
What is the molecular weight of (3S)-1,3-dimethyl-3,4-dihydroisoquinoline?
The molecular weight of (3S)-1,3-dimethyl-3,4-dihydroisoquinoline is 159.10 g/mol.
Where can I buy (3S)-1,3-dimethyl-3,4-dihydroisoquinoline?
You can request a quote for (3S)-1,3-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 (3S)-1,3-dimethyl-3,4-dihydroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for (3S)-1,3-dimethyl-3,4-dihydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.