1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol
TL;DR: 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol (CAS 10174-95-5) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-yl(isoquinolin-1-yl)methanol
Also Known As: IFLab1_003807, IDI1_009914, 1,3-benzodioxol-5-yl(1-isoquinolinyl)methanol, 1,3-benzodioxol-5-yl(isoquinolin-1-yl)methanol, AF-399/14569041
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.0452 |
| Topological Polar Surface Area | 51.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 810.7443 |
Chemical Identifiers
| CAS Number | 10174-95-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(C3=NC=CC4=CC=CC=C43)O |
Product Overview
1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol (CAS 10174-95-5), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 1,3-benzodioxol-5-yl(isoquinolin-1-yl)methanol.
Chemical Property Profile of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol
Property Insights of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol
The XLogP value of 3.0452 indicates that 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.58 Ų, 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol has 1 hydrogen bond donor(s) and 4 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 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol?
The CAS number of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol is 10174-95-5.
What is the molecular formula of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol?
The molecular formula of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol is C17H13NO3.
What is the molecular weight of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol?
The molecular weight of 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol is 279.09 g/mol.
Where can I buy 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol?
You can request a quote for 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-yl(isoquinolin-1-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.