Dimethyl 2-butylidenepropanedioate
TL;DR: Dimethyl 2-butylidenepropanedioate (CAS 18795-83-0) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-butylidenepropanedioate
Also Known As: dimethyl 2-butylidenepropanedioate, dimethyl butylidenepropanedioate, dimethyl butylidenemalonate, Butylidenemalonic acid dimethyl ester, 2-Butylidenemalonic acid dimethyl ester
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.0589 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 199.65459 |
Chemical Identifiers
| CAS Number | 18795-83-0 |
|---|---|
| SMILES | CCCC=C(C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-butylidenepropanedioate (CAS 18795-83-0), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: dimethyl 2-butylidenepropanedioate.
Chemical Property Profile of Dimethyl 2-butylidenepropanedioate
Property Insights of Dimethyl 2-butylidenepropanedioate
The XLogP value of 1.0589 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-butylidenepropanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-butylidenepropanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-butylidenepropanedioate 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 2-butylidenepropanedioate?
The CAS number of Dimethyl 2-butylidenepropanedioate is 18795-83-0.
What is the molecular formula of Dimethyl 2-butylidenepropanedioate?
The molecular formula of Dimethyl 2-butylidenepropanedioate is C9H14O4.
What is the molecular weight of Dimethyl 2-butylidenepropanedioate?
The molecular weight of Dimethyl 2-butylidenepropanedioate is 186.09 g/mol.
Where can I buy Dimethyl 2-butylidenepropanedioate?
You can request a quote for Dimethyl 2-butylidenepropanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-butylidenepropanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-butylidenepropanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.