IFLab1_001837
TL;DR: IFLab1_001837 (CAS 303035-66-7) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxy-6-(hydroxymethyl)pyran-4-one
Also Known As: IFLab1_001837, 2-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one, 2-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one, 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxy-6-(hydroxymethyl)pyran-4-one, 3-hydroxy-6-(hydroxymethyl)-2-(2-1,2,3,4-tetrahydroisoquinolylmethyl)pyran-4-o ne
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 303035-66-7 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)CC3=C(C(=O)C=C(O3)CO)O |
| InChIKey | RCNPMTLZFHHVPK-UHFFFAOYSA-N |
Product Overview
IFLab1_001837 (CAS 303035-66-7), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxy-6-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of IFLab1_001837
Property Insights of IFLab1_001837
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001837. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001837. Following Lipinski's Rule of Five, IFLab1_001837 has 2 hydrogen bond donor(s) and 5 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 IFLab1_001837?
The CAS number of IFLab1_001837 is 303035-66-7.
What is the molecular formula of IFLab1_001837?
The molecular formula of IFLab1_001837 is C16H17NO4.
What is the molecular weight of IFLab1_001837?
The molecular weight of IFLab1_001837 is 287.12 g/mol.
Where can I buy IFLab1_001837?
You can request a quote for IFLab1_001837 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001837?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001837 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.