2-Butenoic acid, 4-nitrophenyl ester
TL;DR: 2-Butenoic acid, 4-nitrophenyl ester (CAS 35665-90-8) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) but-2-enoate
Also Known As: (4-nitrophenyl) but-2-enoate, 2-Butenoic acid, 4-nitrophenyl ester, 4-NITROPHENYL BUT-2-ENOATE, 2-Butenoic acid,4-nitrophenyl ester
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 35665-90-8 |
|---|---|
| SMILES | CC=CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | DKEFLVTVKNEDSR-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 4-nitrophenyl ester (CAS 35665-90-8), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: (4-nitrophenyl) but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 4-nitrophenyl ester
Property Insights of 2-Butenoic acid, 4-nitrophenyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-nitrophenyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 4-nitrophenyl ester. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-nitrophenyl ester has 0 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 2-Butenoic acid, 4-nitrophenyl ester?
The CAS number of 2-Butenoic acid, 4-nitrophenyl ester is 35665-90-8.
What is the molecular formula of 2-Butenoic acid, 4-nitrophenyl ester?
The molecular formula of 2-Butenoic acid, 4-nitrophenyl ester is C10H9NO4.
What is the molecular weight of 2-Butenoic acid, 4-nitrophenyl ester?
The molecular weight of 2-Butenoic acid, 4-nitrophenyl ester is 207.05 g/mol.
Where can I buy 2-Butenoic acid, 4-nitrophenyl ester?
You can request a quote for 2-Butenoic acid, 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.