methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate
TL;DR: methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate (CAS 7230-01-5) is a chemical compound with molecular formula C11H13N5O and molecular weight 231.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate
Also Known As: methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate, J1.923.425H, N-benzyl-O-methyl-N'-(1,2,4-triazol-4-yl)isourea, 1-Benzyl-2-methyl-3-(4H-1,2,4-triazole-4-yl)isourea, Methyl N'-benzyl-N-(4H-1,2,4-triazol-4-yl)carbamimidate
| Molecular Formula | C11H13N5O |
|---|---|
| Molecular Weight | 231.11 g/mol |
| LogP | 1.0242 |
| Topological Polar Surface Area | 64.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.11201 |
| Heavy Atoms | 17 |
| Complexity | 465.8717 |
Chemical Identifiers
| CAS Number | 7230-01-5 |
|---|---|
| SMILES | COC(=NCC1=CC=CC=C1)NN2C=NN=C2 |
Product Overview
methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate (CAS 7230-01-5), with molecular formula C11H13N5O and molecular weight 231.11 g/mol. IUPAC: methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate.
Chemical Property Profile of methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate
Property Insights of methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate
The XLogP value of 1.0242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate. The TPSA of 64.33 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate. Following Lipinski's Rule of Five, methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate has 1 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 N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate?
The CAS number of methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate is 7230-01-5.
What is the molecular formula of methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate?
The molecular formula of methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate is C11H13N5O.
What is the molecular weight of methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate?
The molecular weight of methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate is 231.11 g/mol.
Where can I buy methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate?
You can request a quote for methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate?
Yes, KEHONG BIO provides custom synthesis services for methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.