2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester
TL;DR: 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester (CAS 64205-22-7) is a chemical compound with molecular formula C10H7Cl2NO4 and molecular weight 274.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dichloro-4-nitrophenyl) (E)-but-2-enoate
Also Known As: Bayer 60564, BAY 60564, 2-BUTENOIC ACID, 2,6-DICHLORO-4-NITROPHENYL ESTER, (2,6-dichloro-4-nitrophenyl) (E)-but-2-enoate, 2-Butenoic acid 2,6-dichloro-4-nitrophenyl ester
| Molecular Formula | C10H7Cl2NO4 |
|---|---|
| Molecular Weight | 274.98 g/mol |
| LogP | 3.3831 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.97522 |
| Heavy Atoms | 17 |
| Complexity | 476.07443 |
Chemical Identifiers
| CAS Number | 64205-22-7 |
|---|---|
| SMILES | C/C=C/C(=O)OC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl |
Product Overview
2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester (CAS 64205-22-7), with molecular formula C10H7Cl2NO4 and molecular weight 274.98 g/mol. IUPAC: (2,6-dichloro-4-nitrophenyl) (E)-but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester
Property Insights of 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester
The XLogP value of 3.3831 indicates that 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester. Following Lipinski's Rule of Five, 2-Butenoic acid, 2,6-dichloro-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, 2,6-dichloro-4-nitrophenyl ester?
The CAS number of 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester is 64205-22-7.
What is the molecular formula of 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester?
The molecular formula of 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester is C10H7Cl2NO4.
What is the molecular weight of 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester?
The molecular weight of 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester is 274.98 g/mol.
Where can I buy 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester?
You can request a quote for 2-Butenoic acid, 2,6-dichloro-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, 2,6-dichloro-4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 2,6-dichloro-4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.