2,3-Dihydroxypropyl 4-nitrobenzoate
TL;DR: 2,3-Dihydroxypropyl 4-nitrobenzoate (CAS 27913-70-8) is a chemical compound with molecular formula C10H11NO6 and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dihydroxypropyl 4-nitrobenzoate
Also Known As: 2,3-dihydroxypropyl 4-nitrobenzoate, AI-942/42301795, 1-N,4-N-bis[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methyliden
| Molecular Formula | C10H11NO6 |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.05864 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 27913-70-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC(CO)O)[N+](=O)[O-] |
| InChIKey | MAYAWTAYWBXUSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydroxypropyl 4-nitrobenzoate (CAS 27913-70-8), with molecular formula C10H11NO6 and molecular weight 241.06 g/mol. IUPAC: 2,3-dihydroxypropyl 4-nitrobenzoate.
Chemical Property Profile of 2,3-Dihydroxypropyl 4-nitrobenzoate
Property Insights of 2,3-Dihydroxypropyl 4-nitrobenzoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydroxypropyl 4-nitrobenzoate. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydroxypropyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2,3-Dihydroxypropyl 4-nitrobenzoate 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-Dihydroxypropyl 4-nitrobenzoate?
The CAS number of 2,3-Dihydroxypropyl 4-nitrobenzoate is 27913-70-8.
What is the molecular formula of 2,3-Dihydroxypropyl 4-nitrobenzoate?
The molecular formula of 2,3-Dihydroxypropyl 4-nitrobenzoate is C10H11NO6.
What is the molecular weight of 2,3-Dihydroxypropyl 4-nitrobenzoate?
The molecular weight of 2,3-Dihydroxypropyl 4-nitrobenzoate is 241.06 g/mol.
Where can I buy 2,3-Dihydroxypropyl 4-nitrobenzoate?
You can request a quote for 2,3-Dihydroxypropyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydroxypropyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydroxypropyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.