4-hydroxy-2-nitroBenzenepropanoic acid methyl ester
TL;DR: 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester (CAS 959005-00-6) is a chemical compound with molecular formula C10H11NO5 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-hydroxy-2-nitrophenyl)propanoate
Also Known As: 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester, Methyl 3-(4-hydroxy-2-nitrophenyl)propanoate, Methyl 3-(4-hydroxy-2-nitrophenyl)propanoate #, 3-Phenpropionic acid, 4'-hydroxy-2'-nitro-, methyl(ester)
| Molecular Formula | C10H11NO5 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.06372 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 959005-00-6 |
|---|---|
| SMILES | COC(=O)CCC1=C(C=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | GHSDPMJUTOFREQ-UHFFFAOYSA-N |
Product Overview
4-hydroxy-2-nitroBenzenepropanoic acid methyl ester (CAS 959005-00-6), with molecular formula C10H11NO5 and molecular weight 225.06 g/mol. IUPAC: methyl 3-(4-hydroxy-2-nitrophenyl)propanoate.
Chemical Property Profile of 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester
Property Insights of 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester. Following Lipinski's Rule of Five, 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester 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 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester?
The CAS number of 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester is 959005-00-6.
What is the molecular formula of 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester?
The molecular formula of 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester is C10H11NO5.
What is the molecular weight of 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester?
The molecular weight of 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester is 225.06 g/mol.
Where can I buy 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester?
You can request a quote for 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-2-nitroBenzenepropanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.