![ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate structure](/static/products/877/877804-01-8.png)
ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate
TL;DR: ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate (CAS 877804-01-8) is a chemical compound with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetate
Also Known As: ethyl 2-(2-((1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)acetate, ethyl 2-[[2-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetate, ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate
| Molecular Formula | C18H19N5O3S |
|---|---|
| Molecular Weight | 385.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 385.12085 |
| Heavy Atoms | 27 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 877804-01-8 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NC=NC2=C1C=NN2CC3=CC=CC=C3 |
| InChIKey | KUEJDICNSSXNHS-UHFFFAOYSA-N |
Product Overview
ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate (CAS 877804-01-8), with molecular formula C18H19N5O3S and molecular weight 385.12 g/mol. IUPAC: ethyl 2-[[2-(1-benzylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]acetate.
Chemical Property Profile of ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate
Property Insights of ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate. Following Lipinski's Rule of Five, ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate 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 N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate?
The CAS number of ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate is 877804-01-8.
What is the molecular formula of ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate?
The molecular formula of ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate is C18H19N5O3S.
What is the molecular weight of ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate?
The molecular weight of ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate is 385.12 g/mol.
Where can I buy ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate?
You can request a quote for ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-{[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetyl}glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.