Dimethyl mesaconate
TL;DR: Dimethyl mesaconate (CAS 617-53-8) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (E)-2-methylbut-2-enedioate
Also Known As: Dimethyl mesaconate, Dimethyl citraconate, Citraconic acid dimethyl ester, Dimethylcitraconate, Dimethyl methylmaleate
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.2787 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 192.61725 |
Chemical Identifiers
| CAS Number | 617-53-8 |
|---|---|
| SMILES | C/C(=C\C(=O)OC)/C(=O)OC |
Product Overview
Dimethyl mesaconate (CAS 617-53-8), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: dimethyl (E)-2-methylbut-2-enedioate.
Chemical Property Profile of Dimethyl mesaconate
Property Insights of Dimethyl mesaconate
The XLogP value of 0.2787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl mesaconate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl mesaconate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl mesaconate 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 Dimethyl mesaconate?
The CAS number of Dimethyl mesaconate is 617-53-8.
What is the molecular formula of Dimethyl mesaconate?
The molecular formula of Dimethyl mesaconate is C7H10O4.
What is the molecular weight of Dimethyl mesaconate?
The molecular weight of Dimethyl mesaconate is 158.06 g/mol.
Where can I buy Dimethyl mesaconate?
You can request a quote for Dimethyl mesaconate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl mesaconate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl mesaconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.