![2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate structure](/static/products/118/1181991-75-2.png)
2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate
TL;DR: 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate (CAS 1181991-75-2) is a chemical compound with molecular formula C16H14ClN2O5- and molecular weight 349.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate
Also Known As: 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate
| Molecular Formula | C16H14ClN2O5- |
|---|---|
| Molecular Weight | 349.06 g/mol |
| LogP | 2.32542 |
| Topological Polar Surface Area | 104.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.0591 |
| Heavy Atoms | 24 |
| Complexity | 779.0582 |
Chemical Identifiers
| CAS Number | 1181991-75-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-] |
Product Overview
2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate (CAS 1181991-75-2), with molecular formula C16H14ClN2O5- and molecular weight 349.06 g/mol. IUPAC: 2-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate.
Chemical Property Profile of 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate
Property Insights of 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate
The XLogP value of 2.32542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate. The TPSA of 104.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate. Following Lipinski's Rule of Five, 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate has 1 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 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate?
The CAS number of 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate is 1181991-75-2.
What is the molecular formula of 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate?
The molecular formula of 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate is C16H14ClN2O5-.
What is the molecular weight of 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate?
The molecular weight of 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate is 349.06 g/mol.
Where can I buy 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate?
You can request a quote for 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate?
Yes, KEHONG BIO provides custom synthesis services for 2-[[[2-(4-Chloro-2-methylphenoxy)acetyl]amino]methyl]-4-nitrophenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.