![2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid structure](/static/products/957/957030-33-0.png)
2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid
TL;DR: 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid (CAS 957030-33-0) is a chemical compound with molecular formula C17H20N4O5S and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[6-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid
Also Known As: 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid, 5R-0616, 2-[2-[[6-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-2-oxoethyl]sulfanylacetic acid, 2-{[({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]pyridin-3-yl}carbamoyl)methyl]sulfanyl}acetic acid, 2-[[6-(4-ethoxycarbonyl-3,5-dimethyl-pyrazol-1-yl)pyridin-3-yl]carbamoylmethylsulfanyl]acetic Acid
| Molecular Formula | C17H20N4O5S |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 1.81714 |
| Topological Polar Surface Area | 123.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 392.11545 |
| Heavy Atoms | 27 |
| Complexity | 847.7538 |
Chemical Identifiers
| CAS Number | 957030-33-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(N=C1C)C2=NC=C(C=C2)NC(=O)CSCC(=O)O)C |
Product Overview
2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid (CAS 957030-33-0), with molecular formula C17H20N4O5S and molecular weight 392.12 g/mol. IUPAC: 2-[2-[[6-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-2-oxoethyl]sulfanylacetic acid.
Chemical Property Profile of 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid
Property Insights of 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid
The XLogP value of 1.81714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid. The TPSA of 123.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid has 2 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 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid?
The CAS number of 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid is 957030-33-0.
What is the molecular formula of 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid?
The molecular formula of 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid is C17H20N4O5S.
What is the molecular weight of 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid?
The molecular weight of 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid is 392.12 g/mol.
Where can I buy 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid?
You can request a quote for 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.