1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate
TL;DR: 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate (CAS 68764-27-2) is a chemical compound with molecular formula C23H33NO5S and molecular weight 435.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-acetyl-3-acetyloxy-6-(1-adamantylsulfanyl)-3,5-dimethyl-2,6-dihydropyridin-2-yl] acetate
Also Known As: 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate, [1-acetyl-3-acetyloxy-6-(1-adamantylsulfanyl)-3,5-dimethyl-2, [3-acetoxy-1-acetyl-6-(1-adamantylsulfanyl)-3,5-dimethyl-2,6-dihydropyridin-2-yl] acetate, [1-acetyl-3-acetyloxy-6-(1-adamantylsulfanyl)-3,5-dimethyl-2,6-dihydropyridin-2-yl] acetate, 1-Acetyl-6-[(adamantan-1-yl)sulfanyl]-3,5-dimethyl-1,2,3,6-tetrahydropyridine-2,3-diyl diacetate
| Molecular Formula | C23H33NO5S |
|---|---|
| Molecular Weight | 435.21 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.20795 |
| Heavy Atoms | 30 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 68764-27-2 |
|---|---|
| SMILES | CC1=CC(C(N(C1SC23CC4CC(C2)CC(C4)C3)C(=O)C)OC(=O)C)(C)OC(=O)C |
| InChIKey | BECSDSMCMZTCPM-UHFFFAOYSA-N |
Product Overview
1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate (CAS 68764-27-2), with molecular formula C23H33NO5S and molecular weight 435.21 g/mol. IUPAC: [1-acetyl-3-acetyloxy-6-(1-adamantylsulfanyl)-3,5-dimethyl-2,6-dihydropyridin-2-yl] acetate.
Chemical Property Profile of 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate
Property Insights of 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate
The XLogP value of 3.5 indicates that 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate. Following Lipinski's Rule of Five, 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate has 0 hydrogen bond donor(s) and 6 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-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate?
The CAS number of 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate is 68764-27-2.
What is the molecular formula of 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate?
The molecular formula of 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate is C23H33NO5S.
What is the molecular weight of 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate?
The molecular weight of 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate is 435.21 g/mol.
Where can I buy 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate?
You can request a quote for 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-2-(acetyloxy)-6-(1-adamantylthio)-3,5-dimethyl-1,2,3,6-tetrahydro-3-pyridinyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.