2,3,4-Trimethoxyphenol
TL;DR: 2,3,4-Trimethoxyphenol (CAS 19951-24-7) is a chemical compound with molecular formula C9H7N3O4S and molecular weight 253.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid
Also Known As: 2,3,4-Trimethoxyphenol, [(5-Nitro-1H-benzimidazol-2-yl)thio]acetic acid, 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid, [(6-Nitro-1H-benzimidazol-2-yl)thio]acetic acid, 2-[(6-nitro-1H-1,3-benzodiazol-2-yl)sulfanyl]acetic acid
| Molecular Formula | C9H7N3O4S |
|---|---|
| Molecular Weight | 253.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.01573 |
| Heavy Atoms | 17 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 19951-24-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)SCC(=O)O |
| InChIKey | SMTHPGGRKWIUEJ-UHFFFAOYSA-N |
Product Overview
2,3,4-Trimethoxyphenol (CAS 19951-24-7), with molecular formula C9H7N3O4S and molecular weight 253.02 g/mol. IUPAC: 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of 2,3,4-Trimethoxyphenol
Property Insights of 2,3,4-Trimethoxyphenol
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4-Trimethoxyphenol. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4-Trimethoxyphenol. Following Lipinski's Rule of Five, 2,3,4-Trimethoxyphenol has 2 hydrogen bond donor(s) and 6 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 2,3,4-Trimethoxyphenol?
The CAS number of 2,3,4-Trimethoxyphenol is 19951-24-7.
What is the molecular formula of 2,3,4-Trimethoxyphenol?
The molecular formula of 2,3,4-Trimethoxyphenol is C9H7N3O4S.
What is the molecular weight of 2,3,4-Trimethoxyphenol?
The molecular weight of 2,3,4-Trimethoxyphenol is 253.02 g/mol.
Where can I buy 2,3,4-Trimethoxyphenol?
You can request a quote for 2,3,4-Trimethoxyphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trimethoxyphenol?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trimethoxyphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.