Dimethyl glutaconate
TL;DR: Dimethyl glutaconate (CAS 5461-68-7) 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)-pent-2-enedioate
Also Known As: Dimethyl glutaconate, dimethyl pent-2-enedioate, Dimethyl 2-pentenoate, (E)-dimethyl pent-2-enedioate, dimethyl (E)-pent-2-enedioate
| 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 | 3 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 171.27939 |
Chemical Identifiers
| CAS Number | 5461-68-7 |
|---|---|
| SMILES | COC(=O)C/C=C/C(=O)OC |
Product Overview
Dimethyl glutaconate (CAS 5461-68-7), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: dimethyl (E)-pent-2-enedioate.
Chemical Property Profile of Dimethyl glutaconate
Property Insights of Dimethyl glutaconate
The XLogP value of 0.2787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl glutaconate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl glutaconate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl glutaconate 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 glutaconate?
The CAS number of Dimethyl glutaconate is 5461-68-7.
What is the molecular formula of Dimethyl glutaconate?
The molecular formula of Dimethyl glutaconate is C7H10O4.
What is the molecular weight of Dimethyl glutaconate?
The molecular weight of Dimethyl glutaconate is 158.06 g/mol.
Where can I buy Dimethyl glutaconate?
You can request a quote for Dimethyl glutaconate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl glutaconate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl glutaconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.