![Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate structure](/static/products/3923/392317-91-8.webp)
Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
TL;DR: Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate (CAS 392317-91-8) is a chemical compound with molecular formula C17H23N3O3S2 and molecular weight 381.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Also Known As: IFLab1_001540, ethyl 2-{[5-(adamantane-1-amido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate, F0417-2043, ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate, ethyl 2-((5-((3r,5r,7r)-adamantane-1-carboxamido)-1,3,4-thiadiazol-2-yl)thio)acetate
| Molecular Formula | C17H23N3O3S2 |
|---|---|
| Molecular Weight | 381.12 g/mol |
| LogP | 3.3482 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.11807 |
| Heavy Atoms | 25 |
| Complexity | 640.56604 |
Chemical Identifiers
| CAS Number | 392317-91-8 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate (CAS 392317-91-8), with molecular formula C17H23N3O3S2 and molecular weight 381.12 g/mol. IUPAC: ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Property Insights of Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
The XLogP value of 3.3482 indicates that Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate has 1 hydrogen bond donor(s) and 7 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 Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The CAS number of Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is 392317-91-8.
What is the molecular formula of Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The molecular formula of Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is C17H23N3O3S2.
What is the molecular weight of Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
The molecular weight of Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate is 381.12 g/mol.
Where can I buy Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
You can request a quote for Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[5-(adamantane-1-carbonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.