3,4-Dihydroisoquinoline-2(1H)-carbaldehyde
TL;DR: 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde (CAS 1699-52-1) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-isoquinoline-2-carbaldehyde
Also Known As: 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde, 3,4-dihydro-1H-isoquinoline-2-carbaldehyde, 2-Chloro-4,6,8-trimethyl-quinoline, 2(1H)-Isoquinolinecarboxaldehyde,3,4-dihydro-, 3,4-Dihydro-2(1H)-isoquinolinecarbaldehyde
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 1699-52-1 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C=O |
| InChIKey | ZEMNVPLWDUWKEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydroisoquinoline-2(1H)-carbaldehyde (CAS 1699-52-1), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 3,4-dihydro-1H-isoquinoline-2-carbaldehyde.
Chemical Property Profile of 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde
Property Insights of 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde. With a topological polar surface area (TPSA) of 20.3 Ų, 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde 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 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde?
The CAS number of 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde is 1699-52-1.
What is the molecular formula of 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde?
The molecular formula of 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde is C10H11NO.
What is the molecular weight of 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde?
The molecular weight of 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde is 161.08 g/mol.
Where can I buy 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde?
You can request a quote for 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroisoquinoline-2(1H)-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.