![Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate structure](/static/products/4764/476438-86-5.webp)
Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate
TL;DR: Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate (CAS 476438-86-5) is a chemical compound with molecular formula C23H36N4O3S and molecular weight 448.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate, F0528-1535, ethyl 2-[(5-{[(adamantan-1-yl)formamido]methyl}-4-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate, ethyl 2-((5-(((1s,3s)-adamantane-1-carboxamido)methyl)-4-butyl-4H-1,2,4-triazol-3-yl)thio)propanoate
| Molecular Formula | C23H36N4O3S |
|---|---|
| Molecular Weight | 448.25 g/mol |
| LogP | 3.9545 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 448.25082 |
| Heavy Atoms | 31 |
| Complexity | 773.45807 |
Chemical Identifiers
| CAS Number | 476438-86-5 |
|---|---|
| SMILES | CCCCN1C(=NN=C1SC(C)C(=O)OCC)CNC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate (CAS 476438-86-5), with molecular formula C23H36N4O3S and molecular weight 448.25 g/mol. IUPAC: ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate.
Chemical Property Profile of Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate
Property Insights of Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate
The XLogP value of 3.9545 indicates that Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate has 1 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 Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate?
The CAS number of Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate is 476438-86-5.
What is the molecular formula of Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate?
The molecular formula of Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate is C23H36N4O3S.
What is the molecular weight of Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate?
The molecular weight of Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate is 448.25 g/mol.
Where can I buy Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate?
You can request a quote for Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate 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)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[5-[(adamantane-1-carbonylamino)methyl]-4-butyl-1,2,4-triazol-3-yl]sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.