1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol
TL;DR: 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol (CAS 63039-79-2) is a chemical compound with molecular formula C13H12Cl3NO2 and molecular weight 318.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol
Also Known As: KST-1B6544, 1,1,1-trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol, 4-Quinolineethanol,6-methoxy-a-(trichloromethyl)-
| Molecular Formula | C13H12Cl3NO2 |
|---|---|
| Molecular Weight | 318.99 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.99335 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 63039-79-2 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)CC(C(Cl)(Cl)Cl)O |
| InChIKey | ZCRUVFSJUVJMSI-UHFFFAOYSA-N |
Product Overview
1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol (CAS 63039-79-2), with molecular formula C13H12Cl3NO2 and molecular weight 318.99 g/mol. IUPAC: 1,1,1-trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol.
Chemical Property Profile of 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol
Property Insights of 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol
The XLogP value of 3.7 indicates that 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol has 1 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 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol?
The CAS number of 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol is 63039-79-2.
What is the molecular formula of 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol?
The molecular formula of 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol is C13H12Cl3NO2.
What is the molecular weight of 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol?
The molecular weight of 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol is 318.99 g/mol.
Where can I buy 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol?
You can request a quote for 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trichloro-3-(6-methoxyquinolin-4-yl)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.