![ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate structure](/static/products/866/866010-97-1.png)
ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate
TL;DR: ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate (CAS 866010-97-1) is a chemical compound with molecular formula C11H19N5O3S and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(butylcarbamoylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate, ethyl 2-[[5-(butylcarbamoylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-({3-[(butylcarbamoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate, ethyl2-({3-[(butylcarbamoyl)amino]-1H-1,2,4-triazol-5-yl}sulfanyl)acetate, C11H19N5O3S
| Molecular Formula | C11H19N5O3S |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 1.3815 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 301.12085 |
| Heavy Atoms | 20 |
| Complexity | 437.44803 |
Chemical Identifiers
| CAS Number | 866010-97-1 |
|---|---|
| SMILES | CCCCNC(=O)NC1=NC(=NN1)SCC(=O)OCC |
Product Overview
ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate (CAS 866010-97-1), with molecular formula C11H19N5O3S and molecular weight 301.12 g/mol. IUPAC: ethyl 2-[[5-(butylcarbamoylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate
Property Insights of ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate
The XLogP value of 1.3815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate has 3 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-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
The CAS number of ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate is 866010-97-1.
What is the molecular formula of ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate is C11H19N5O3S.
What is the molecular weight of ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate is 301.12 g/mol.
Where can I buy ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-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-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(3-{[(butylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.