2-(3-Methoxy-allylidene)-malonic acid dimethyl ester
TL;DR: 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester (CAS 133445-85-9) is a chemical compound with molecular formula C9H12O5 and molecular weight 200.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(3-methoxyprop-2-enylidene)propanedioate
Also Known As: dimethyl 2-(3-methoxyallylidene)malonate, 2-(3-Methoxyallylidene)malonic acid dimethyl ester, dimethyl (E)-2-(3-methoxyallylidene)malonate, 2-(3-methoxy-allylidene)-malonic acid dimethyl ester, dimethyl 2-(3-methoxyprop-2-enylidene)propanedioate
| Molecular Formula | C9H12O5 |
|---|---|
| Molecular Weight | 200.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.06847 |
| Heavy Atoms | 14 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 133445-85-9 |
|---|---|
| SMILES | COC=CC=C(C(=O)OC)C(=O)OC |
| InChIKey | NOBNTZJTOBIOHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Methoxy-allylidene)-malonic acid dimethyl ester (CAS 133445-85-9), with molecular formula C9H12O5 and molecular weight 200.07 g/mol. IUPAC: dimethyl 2-(3-methoxyprop-2-enylidene)propanedioate.
Chemical Property Profile of 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester
Property Insights of 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester. Following Lipinski's Rule of Five, 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester has 0 hydrogen bond donor(s) and 5 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-Methoxy-allylidene)-malonic acid dimethyl ester?
The CAS number of 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester is 133445-85-9.
What is the molecular formula of 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester?
The molecular formula of 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester is C9H12O5.
What is the molecular weight of 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester?
The molecular weight of 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester is 200.07 g/mol.
Where can I buy 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester?
You can request a quote for 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methoxy-allylidene)-malonic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.