![ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate structure](/static/products/894/894859-55-3.png)
ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate
TL;DR: ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate (CAS 894859-55-3) is a chemical compound with molecular formula C15H15N5O3 and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-[(2H-tetrazol-5-ylamino)methyl]furan-2-yl]benzoate
Also Known As: Ethyl 4-[5-[(2H-tetrazol-5-ylamino)methyl]-2-furyl]benzoate, ethyl 4-(5-(((1H-tetrazol-5-yl)amino)methyl)furan-2-yl)benzoate, ethyl 4-[5-[(2H-tetrazol-5-ylamino)methyl]furan-2-yl]benzoate, ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate
| Molecular Formula | C15H15N5O3 |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 2.2485 |
| Topological Polar Surface Area | 105.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.1175 |
| Heavy Atoms | 23 |
| Complexity | 764.7785 |
Chemical Identifiers
| CAS Number | 894859-55-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)CNC3=NNN=N3 |
Product Overview
ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate (CAS 894859-55-3), with molecular formula C15H15N5O3 and molecular weight 313.12 g/mol. IUPAC: ethyl 4-[5-[(2H-tetrazol-5-ylamino)methyl]furan-2-yl]benzoate.
Chemical Property Profile of ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate
Property Insights of ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate
The XLogP value of 2.2485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate. The TPSA of 105.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate. Following Lipinski's Rule of Five, ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate has 2 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 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate?
The CAS number of ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate is 894859-55-3.
What is the molecular formula of ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate?
The molecular formula of ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate is C15H15N5O3.
What is the molecular weight of ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate?
The molecular weight of ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate is 313.12 g/mol.
Where can I buy ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate?
You can request a quote for ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{5-[(1H-tetrazol-5-ylamino)methyl]furan-2-yl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.