1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde
TL;DR: 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde (CAS 63477-91-8) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde
Also Known As: (+/-)-N-Formyl Octabase, Dextromethorphan Impurity 4, Dextromethorphan Impurity 15, N-Formyl octabase, (+/-)-, 1-(4-methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde
| Molecular Formula | C18H23NO2 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.17288 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 63477-91-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2C3=C(CCCC3)CCN2C=O |
| InChIKey | XSOPBBOEINVWML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde (CAS 63477-91-8), with molecular formula C18H23NO2 and molecular weight 285.17 g/mol. IUPAC: 1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde.
Chemical Property Profile of 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde
Property Insights of 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde. With a topological polar surface area (TPSA) of 29.5 Ų, 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde has 0 hydrogen bond donor(s) and 2 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-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde?
The CAS number of 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde is 63477-91-8.
What is the molecular formula of 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde?
The molecular formula of 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde is C18H23NO2.
What is the molecular weight of 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde?
The molecular weight of 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde is 285.17 g/mol.
Where can I buy 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde?
You can request a quote for 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-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 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1h)-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.