1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate
TL;DR: 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate (CAS 56363-54-3) is a chemical compound with molecular formula C29H41NO3S2 and molecular weight 515.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-acetyl-2,6-bis(1-adamantylsulfanyl)-3,6-dihydro-2H-pyridin-3-yl] acetate
Also Known As: 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate, [1-acetyl-2,6-bis(1-adamantylsulfanyl)-3,6-dihydro-2H-pyridin-3-yl] acetate, 1-Acetyl-2,6-bis[(adamantan-1-yl)sulfanyl]-1,2,3,6-tetrahydropyridin-3-yl acetate
| Molecular Formula | C29H41NO3S2 |
|---|---|
| Molecular Weight | 515.25 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 97.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.2528 |
| Heavy Atoms | 35 |
| Complexity | 848.0 |
Chemical Identifiers
| CAS Number | 56363-54-3 |
|---|---|
| SMILES | CC(=O)N1C(C=CC(C1SC23CC4CC(C2)CC(C4)C3)OC(=O)C)SC56CC7CC(C5)CC(C7)C6 |
| InChIKey | NSNPJQPPFSWCEU-UHFFFAOYSA-N |
Product Overview
1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate (CAS 56363-54-3), with molecular formula C29H41NO3S2 and molecular weight 515.25 g/mol. IUPAC: [1-acetyl-2,6-bis(1-adamantylsulfanyl)-3,6-dihydro-2H-pyridin-3-yl] acetate.
Chemical Property Profile of 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate
Property Insights of 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate
The XLogP value of 6.8 indicates that 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate. Following Lipinski's Rule of Five, 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate?
The CAS number of 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate is 56363-54-3.
What is the molecular formula of 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate?
The molecular formula of 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate is C29H41NO3S2.
What is the molecular weight of 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate?
The molecular weight of 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate is 515.25 g/mol.
Where can I buy 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate?
You can request a quote for 1-Acetyl-2,6-bis(1-adamantylthio)-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-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-2,6-bis(1-adamantylthio)-1,2,3,6-tetrahydro-3-pyridinyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.