5-Nitro-2-propoxybenzoic acid
TL;DR: 5-Nitro-2-propoxybenzoic acid (CAS 13736-91-9) 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.
5-nitro-2-propoxybenzoic acid
Also Known As: 5-nitro-2-propoxybenzoic acid, 5-nitro-2-propoxy-benzoic Acid, A1-31392
| Molecular Formula | C10H11NO5 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 2.0818 |
| Topological Polar Surface Area | 89.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.06372 |
| Heavy Atoms | 16 |
| Complexity | 415.67047 |
Chemical Identifiers
| CAS Number | 13736-91-9 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O |
Product Overview
5-Nitro-2-propoxybenzoic acid (CAS 13736-91-9), with molecular formula C10H11NO5 and molecular weight 225.06 g/mol. IUPAC: 5-nitro-2-propoxybenzoic acid.
Chemical Property Profile of 5-Nitro-2-propoxybenzoic acid
Property Insights of 5-Nitro-2-propoxybenzoic acid
The XLogP value of 2.0818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-propoxybenzoic acid. The TPSA of 89.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-propoxybenzoic acid. Following Lipinski's Rule of Five, 5-Nitro-2-propoxybenzoic acid has 1 hydrogen bond donor(s) and 4 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 5-Nitro-2-propoxybenzoic acid?
The CAS number of 5-Nitro-2-propoxybenzoic acid is 13736-91-9.
What is the molecular formula of 5-Nitro-2-propoxybenzoic acid?
The molecular formula of 5-Nitro-2-propoxybenzoic acid is C10H11NO5.
What is the molecular weight of 5-Nitro-2-propoxybenzoic acid?
The molecular weight of 5-Nitro-2-propoxybenzoic acid is 225.06 g/mol.
Where can I buy 5-Nitro-2-propoxybenzoic acid?
You can request a quote for 5-Nitro-2-propoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-propoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-propoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.