Ethyl 5-amino-1-benzyltriazole-4-carboximidate
TL;DR: Ethyl 5-amino-1-benzyltriazole-4-carboximidate (CAS 20352-44-7) is a chemical compound with molecular formula C12H15N5O and molecular weight 245.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-1-benzyltriazole-4-carboximidate
Also Known As: ethyl 5-amino-1-benzyltriazole-4-carboximidate, ethyl 5-amino-1-benzyl-triazole-4-carboximidate, ethyl 5-amino-1-benzyl-1h-1,2,3-triazole-4-carboximidoate, Ethyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboximidate, 1H-1,2,3-Triazole-4-carboximidicacid, 5-amino-1-(phenylmethyl)-, ethyl ester
| Molecular Formula | C12H15N5O |
|---|---|
| Molecular Weight | 245.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 89.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.12766 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 20352-44-7 |
|---|---|
| SMILES | CCOC(=N)C1=C(N(N=N1)CC2=CC=CC=C2)N |
| InChIKey | BMAUWMNSFAFMSA-UHFFFAOYSA-N |
Product Overview
Ethyl 5-amino-1-benzyltriazole-4-carboximidate (CAS 20352-44-7), with molecular formula C12H15N5O and molecular weight 245.13 g/mol. IUPAC: ethyl 5-amino-1-benzyltriazole-4-carboximidate.
Chemical Property Profile of Ethyl 5-amino-1-benzyltriazole-4-carboximidate
Property Insights of Ethyl 5-amino-1-benzyltriazole-4-carboximidate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-1-benzyltriazole-4-carboximidate. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-1-benzyltriazole-4-carboximidate. Following Lipinski's Rule of Five, Ethyl 5-amino-1-benzyltriazole-4-carboximidate has 2 hydrogen bond donor(s) and 5 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 5-amino-1-benzyltriazole-4-carboximidate?
The CAS number of Ethyl 5-amino-1-benzyltriazole-4-carboximidate is 20352-44-7.
What is the molecular formula of Ethyl 5-amino-1-benzyltriazole-4-carboximidate?
The molecular formula of Ethyl 5-amino-1-benzyltriazole-4-carboximidate is C12H15N5O.
What is the molecular weight of Ethyl 5-amino-1-benzyltriazole-4-carboximidate?
The molecular weight of Ethyl 5-amino-1-benzyltriazole-4-carboximidate is 245.13 g/mol.
Where can I buy Ethyl 5-amino-1-benzyltriazole-4-carboximidate?
You can request a quote for Ethyl 5-amino-1-benzyltriazole-4-carboximidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-1-benzyltriazole-4-carboximidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-1-benzyltriazole-4-carboximidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.