3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate
TL;DR: 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate (CAS 370072-95-0) is a chemical compound with molecular formula C7H8Cl3NO3 and molecular weight 258.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3,5-trichloro-2-hydroxy-4,5-dihydro-2H-pyridin-6-yl) acetate
Also Known As: 3,5,5-trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate, (3,3,5-trichloro-2-hydroxy-4,5-dihydro-2H-pyridin-6-yl) acetate
| Molecular Formula | C7H8Cl3NO3 |
|---|---|
| Molecular Weight | 258.96 g/mol |
| LogP | 1.4514 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.95697 |
| Heavy Atoms | 14 |
| Complexity | 279.35358 |
Chemical Identifiers
| CAS Number | 370072-95-0 |
|---|---|
| SMILES | CC(=O)OC1=NC(C(CC1Cl)(Cl)Cl)O |
Product Overview
3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate (CAS 370072-95-0), with molecular formula C7H8Cl3NO3 and molecular weight 258.96 g/mol. IUPAC: (3,3,5-trichloro-2-hydroxy-4,5-dihydro-2H-pyridin-6-yl) acetate.
Chemical Property Profile of 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate
Property Insights of 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate
The XLogP value of 1.4514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate. With a topological polar surface area (TPSA) of 58.89 Ų, 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate 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 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate?
The CAS number of 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate is 370072-95-0.
What is the molecular formula of 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate?
The molecular formula of 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate is C7H8Cl3NO3.
What is the molecular weight of 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate?
The molecular weight of 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate is 258.96 g/mol.
Where can I buy 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate?
You can request a quote for 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trichloro-6-hydroxy-3,4,5,6-tetrahydropyridin-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.