![ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate structure](/static/products/866/866010-96-0.png)
ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate
TL;DR: ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate (CAS 866010-96-0) is a chemical compound with molecular formula C10H17N5O3S and molecular weight 287.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(propan-2-ylcarbamoylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate, ethyl 2-[[5-(propan-2-ylcarbamoylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate, ethyl 2-[(3-{[(propan-2-yl)carbamoyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate, ethyl 2-[(5-{[(propan-2-yl)carbamoyl]amino}-1H-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl 2-[[5-(isopropylcarbamoylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C10H17N5O3S |
|---|---|
| Molecular Weight | 287.11 g/mol |
| LogP | 0.9898 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.10522 |
| Heavy Atoms | 19 |
| Complexity | 434.55453 |
Chemical Identifiers
| CAS Number | 866010-96-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=NNC(=N1)NC(=O)NC(C)C |
Product Overview
ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate (CAS 866010-96-0), with molecular formula C10H17N5O3S and molecular weight 287.11 g/mol. IUPAC: ethyl 2-[[5-(propan-2-ylcarbamoylamino)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate
Property Insights of ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate
The XLogP value of 0.9898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(3-{[(isopropylamino)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-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, ethyl 2-[(3-{[(isopropylamino)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-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
The CAS number of ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate is 866010-96-0.
What is the molecular formula of ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
The molecular formula of ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate is C10H17N5O3S.
What is the molecular weight of ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
The molecular weight of ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate is 287.11 g/mol.
Where can I buy ethyl 2-[(3-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
You can request a quote for ethyl 2-[(3-{[(isopropylamino)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-{[(isopropylamino)carbonyl]amino}-1H-1,2,4-triazol-5-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(3-{[(isopropylamino)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.