1,8-Bis(methoxymethyl)isoquinoline
TL;DR: 1,8-Bis(methoxymethyl)isoquinoline (CAS 136602-87-4) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-bis(methoxymethyl)isoquinoline
Also Known As: 1,8-bis(methoxymethyl)isoquinoline, Isoquinoline, 1,8-bis(methoxymethyl)-
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 31.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 136602-87-4 |
|---|---|
| SMILES | COCC1=CC=CC2=C1C(=NC=C2)COC |
| InChIKey | ZZASREORVQNUCC-UHFFFAOYSA-N |
Product Overview
1,8-Bis(methoxymethyl)isoquinoline (CAS 136602-87-4), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: 1,8-bis(methoxymethyl)isoquinoline.
Chemical Property Profile of 1,8-Bis(methoxymethyl)isoquinoline
Property Insights of 1,8-Bis(methoxymethyl)isoquinoline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Bis(methoxymethyl)isoquinoline. With a topological polar surface area (TPSA) of 31.4 Ų, 1,8-Bis(methoxymethyl)isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,8-Bis(methoxymethyl)isoquinoline 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 1,8-Bis(methoxymethyl)isoquinoline?
The CAS number of 1,8-Bis(methoxymethyl)isoquinoline is 136602-87-4.
What is the molecular formula of 1,8-Bis(methoxymethyl)isoquinoline?
The molecular formula of 1,8-Bis(methoxymethyl)isoquinoline is C13H15NO2.
What is the molecular weight of 1,8-Bis(methoxymethyl)isoquinoline?
The molecular weight of 1,8-Bis(methoxymethyl)isoquinoline is 217.11 g/mol.
Where can I buy 1,8-Bis(methoxymethyl)isoquinoline?
You can request a quote for 1,8-Bis(methoxymethyl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Bis(methoxymethyl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Bis(methoxymethyl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.