RefChem:411212
TL;DR: RefChem:411212 (CAS 27697-00-3) is a chemical compound with molecular formula C14H14O6 and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
Also Known As: Mono(2-methacryloyloxy)ethyl phthalate, Mono(2-methacryloyloxyethyl) phthalate, Phthalic acid monomethacryloyloxyethyl ester, 4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid, 2-(2-(Methacryloyloxy)ethoxycarbonyl)benzoic acid
| Molecular Formula | C14H14O6 |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.07904 |
| Heavy Atoms | 20 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 27697-00-3 |
|---|---|
| SMILES | CC(=C)C(=O)OCCOC(=O)C1=CC=C(C=C1)C(=O)O |
| InChIKey | HQHKCNMTLZRXIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:411212 (CAS 27697-00-3), with molecular formula C14H14O6 and molecular weight 278.08 g/mol. IUPAC: 4-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid.
Chemical Property Profile of RefChem:411212
Property Insights of RefChem:411212
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:411212. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:411212. Following Lipinski's Rule of Five, RefChem:411212 has 1 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 RefChem:411212?
The CAS number of RefChem:411212 is 27697-00-3.
What is the molecular formula of RefChem:411212?
The molecular formula of RefChem:411212 is C14H14O6.
What is the molecular weight of RefChem:411212?
The molecular weight of RefChem:411212 is 278.08 g/mol.
Where can I buy RefChem:411212?
You can request a quote for RefChem:411212 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:411212?
Yes, KEHONG BIO provides custom synthesis services for RefChem:411212 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.