Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate
TL;DR: Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate (CAS 25828-30-2) is a chemical compound with molecular formula C10H9N5O4 and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate
Also Known As: ASN 01940886, [5-(4-Nitro-phenyl)-tetrazol-2-yl]-acetic acid methyl ester, methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate
| Molecular Formula | C10H9N5O4 |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 0.4213 |
| Topological Polar Surface Area | 113.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.06546 |
| Heavy Atoms | 19 |
| Complexity | 606.6375 |
Chemical Identifiers
| CAS Number | 25828-30-2 |
|---|---|
| SMILES | COC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate (CAS 25828-30-2), with molecular formula C10H9N5O4 and molecular weight 263.07 g/mol. IUPAC: methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate.
Chemical Property Profile of Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate
Property Insights of Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate
The XLogP value of 0.4213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate. The TPSA of 113.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate has 0 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 Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate?
The CAS number of Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate is 25828-30-2.
What is the molecular formula of Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate?
The molecular formula of Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate is C10H9N5O4.
What is the molecular weight of Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate?
The molecular weight of Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate is 263.07 g/mol.
Where can I buy Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate?
You can request a quote for Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[5-(4-nitrophenyl)tetrazol-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.