![methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate structure](/static/products/844/844455-52-3.png)
methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate
TL;DR: methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate (CAS 844455-52-3) is a chemical compound with molecular formula C17H15ClN6O2S and molecular weight 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[10-(3-chloro-4-methylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl]propanoate
Also Known As: methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate, methyl 2-{[7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}propanoate
| Molecular Formula | C17H15ClN6O2S |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 3.07862 |
| Topological Polar Surface Area | 87.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.06656 |
| Heavy Atoms | 27 |
| Complexity | 1171.1184 |
Chemical Identifiers
| CAS Number | 844455-52-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C=N2)C4=NN=C(N4C=N3)SC(C)C(=O)OC)Cl |
Product Overview
methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate (CAS 844455-52-3), with molecular formula C17H15ClN6O2S and molecular weight 402.07 g/mol. IUPAC: methyl 2-[[10-(3-chloro-4-methylphenyl)-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-yl]sulfanyl]propanoate.
Chemical Property Profile of methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate
Property Insights of methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate
The XLogP value of 3.07862 indicates that methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate. Following Lipinski's Rule of Five, methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate has 0 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 methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate?
The CAS number of methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate is 844455-52-3.
What is the molecular formula of methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate?
The molecular formula of methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate is C17H15ClN6O2S.
What is the molecular weight of methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate?
The molecular weight of methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate is 402.07 g/mol.
Where can I buy methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate?
You can request a quote for methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.