烟堇酸二甲酯
TL;DR: 烟堇酸二甲酯 (CAS 12287-98-8) is a chemical compound with molecular formula C6H8O4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
烟堇酸二甲酯
dimethyl (E)-but-2-enedioate
Also Known As: Dimethyl fumarate, Tecfidera, (E)-Dimethyl fumarate, Dimethylfumarate, Methyl fumarate
| Molecular Formula | C6H8O4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.04225 |
| Heavy Atoms | 10 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 12287-98-8 |
|---|---|
| SMILES | COC(=O)/C=C/C(=O)OC |
| InChIKey | LDCRTTXIJACKKU-ONEGZZNKSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
烟堇酸二甲酯 (CAS 12287-98-8), with molecular formula C6H8O4 and molecular weight 144.04 g/mol. IUPAC: dimethyl (E)-but-2-enedioate.
Chemical Property Profile of 烟堇酸二甲酯
Property Insights of 烟堇酸二甲酯
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 烟堇酸二甲酯. With a topological polar surface area (TPSA) of 52.6 Ų, 烟堇酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 烟堇酸二甲酯 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 烟堇酸二甲酯?
The CAS number of 烟堇酸二甲酯 is 12287-98-8.
What is the molecular formula of 烟堇酸二甲酯?
The molecular formula of 烟堇酸二甲酯 is C6H8O4.
What is the molecular weight of 烟堇酸二甲酯?
The molecular weight of 烟堇酸二甲酯 is 144.04 g/mol.
Where can I buy 烟堇酸二甲酯?
You can request a quote for 烟堇酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 烟堇酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 烟堇酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.