2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate
TL;DR: 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate (CAS 445464-45-9) is a chemical compound with molecular formula C11H12N6O3 and molecular weight 276.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-anilino-2-oxoethyl) 2-(5-aminotetrazol-1-yl)acetate
Also Known As: TimTec1_002142, (2-anilino-2-oxoethyl) 2-(5-aminotetrazol-1-yl)acetate, A2736/0116208, 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate, (N-phenylcarbamoyl)methyl 2-(5-amino-1,2,3,4-tetraazolyl)acetate
| Molecular Formula | C11H12N6O3 |
|---|---|
| Molecular Weight | 276.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.09708 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 445464-45-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)COC(=O)CN2C(=NN=N2)N |
| InChIKey | JNPVZWQENLYBMI-UHFFFAOYSA-N |
Product Overview
2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate (CAS 445464-45-9), with molecular formula C11H12N6O3 and molecular weight 276.10 g/mol. IUPAC: (2-anilino-2-oxoethyl) 2-(5-aminotetrazol-1-yl)acetate.
Chemical Property Profile of 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate
Property Insights of 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate. Following Lipinski's Rule of Five, 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate 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 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate?
The CAS number of 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate is 445464-45-9.
What is the molecular formula of 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate?
The molecular formula of 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate is C11H12N6O3.
What is the molecular weight of 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate?
The molecular weight of 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate is 276.10 g/mol.
Where can I buy 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate?
You can request a quote for 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-oxo-2-(phenylamino)ethyl (5-amino-1H-tetrazol-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.