4-Hydroxymethyl-3-nitrobenzoic acid
TL;DR: 4-Hydroxymethyl-3-nitrobenzoic acid (CAS 82379-38-2) is a chemical compound with molecular formula C8H7NO5 and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxymethyl)-3-nitrobenzoic acid
Also Known As: 4-(hydroxymethyl)-3-nitrobenzoic acid, 4-Hydroxymethyl-3-nitrobenzoic acid, 4-HYDROXYMETHYL-3-NITRO-BENZOIC ACID, Benzoic acid, 4-(hydroxymethyl)-3-nitro-, 4-(hydroxymethyl)-3-nitro-benzoic Acid
| Molecular Formula | C8H7NO5 |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 0.7853 |
| Topological Polar Surface Area | 100.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.03242 |
| Heavy Atoms | 14 |
| Complexity | 387.31808 |
Chemical Identifiers
| CAS Number | 82379-38-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CO |
Product Overview
4-Hydroxymethyl-3-nitrobenzoic acid (CAS 82379-38-2), with molecular formula C8H7NO5 and molecular weight 197.03 g/mol. IUPAC: 4-(hydroxymethyl)-3-nitrobenzoic acid.
Chemical Property Profile of 4-Hydroxymethyl-3-nitrobenzoic acid
Property Insights of 4-Hydroxymethyl-3-nitrobenzoic acid
The XLogP value of 0.7853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxymethyl-3-nitrobenzoic acid. The TPSA of 100.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxymethyl-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-Hydroxymethyl-3-nitrobenzoic acid has 2 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 4-Hydroxymethyl-3-nitrobenzoic acid?
The CAS number of 4-Hydroxymethyl-3-nitrobenzoic acid is 82379-38-2.
What is the molecular formula of 4-Hydroxymethyl-3-nitrobenzoic acid?
The molecular formula of 4-Hydroxymethyl-3-nitrobenzoic acid is C8H7NO5.
What is the molecular weight of 4-Hydroxymethyl-3-nitrobenzoic acid?
The molecular weight of 4-Hydroxymethyl-3-nitrobenzoic acid is 197.03 g/mol.
Where can I buy 4-Hydroxymethyl-3-nitrobenzoic acid?
You can request a quote for 4-Hydroxymethyl-3-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxymethyl-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxymethyl-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.