3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde
TL;DR: 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde (CAS 61563-02-8) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
Also Known As: EINECS 262-843-2, 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde, 3,4-dihydro-5-1h-isoquinoline-2-carbaldehyde, 3,4-dihydro-5- -1H-isoquinoline-2-carbaldehyde, 5-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 0.9787 |
| Topological Polar Surface Area | 42.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 428.6728 |
Chemical Identifiers
| CAS Number | 61563-02-8 |
|---|---|
| SMILES | C1CN(CC2=C1C(=CC=C2)OCC3CO3)C=O |
Product Overview
3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde (CAS 61563-02-8), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 5-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde.
Chemical Property Profile of 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde
Property Insights of 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde
The XLogP value of 0.9787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde. With a topological polar surface area (TPSA) of 42.07 Ų, 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde has 0 hydrogen bond donor(s) and 3 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-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde?
The CAS number of 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde is 61563-02-8.
What is the molecular formula of 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde?
The molecular formula of 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde is C13H15NO3.
What is the molecular weight of 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde?
The molecular weight of 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde is 233.11 g/mol.
Where can I buy 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde?
You can request a quote for 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-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-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-5-(oxiranylmethoxy)-1H-isoquinoline-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.