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Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
TL;DR: Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate (CAS 116340-27-3) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
Also Known As: SDCCGSBI-0663167.P001, NCI60_010983, Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate, methyl 3-phenyl-5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate, 3-Phenyl-6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylic acid methyl ester
| Molecular Formula | C13H13N3O2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.10077 |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 116340-27-3 |
|---|---|
| SMILES | COC(=O)C1CCC2=NN=C(N12)C3=CC=CC=C3 |
| InChIKey | AMTYBEMFFVEGHG-UHFFFAOYSA-N |
Product Overview
Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate (CAS 116340-27-3), with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol. IUPAC: methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate.
Chemical Property Profile of Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
Property Insights of Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate. With a topological polar surface area (TPSA) of 57.0 Ų, Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate has 0 hydrogen bond donor(s) and 4 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 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate?
The CAS number of Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate is 116340-27-3.
What is the molecular formula of Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate?
The molecular formula of Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate is C13H13N3O2.
What is the molecular weight of Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate?
The molecular weight of Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate is 243.10 g/mol.
Where can I buy Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate?
You can request a quote for Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.