Diisopropyl 2-oxomalonate
TL;DR: Diisopropyl 2-oxomalonate (CAS 7447-54-3) is a chemical compound with molecular formula C9H14O5 and molecular weight 202.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 2-oxopropanedioate
Also Known As: Diisopropyl 2-oxomalonate, diisopropylmesoxalate, Diisopropyl2-oxomalonate, Diisopropyl 2-oxomalonate #, Oxomalonic acid diisopropyl ester
| Molecular Formula | C9H14O5 |
|---|---|
| Molecular Weight | 202.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 202.08412 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 7447-54-3 |
|---|---|
| SMILES | CC(C)OC(=O)C(=O)C(=O)OC(C)C |
| InChIKey | ISAKWFYKUTYAQE-UHFFFAOYSA-N |
Product Overview
Diisopropyl 2-oxomalonate (CAS 7447-54-3), with molecular formula C9H14O5 and molecular weight 202.08 g/mol. IUPAC: dipropan-2-yl 2-oxopropanedioate.
Chemical Property Profile of Diisopropyl 2-oxomalonate
Property Insights of Diisopropyl 2-oxomalonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl 2-oxomalonate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diisopropyl 2-oxomalonate. Following Lipinski's Rule of Five, Diisopropyl 2-oxomalonate 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 Diisopropyl 2-oxomalonate?
The CAS number of Diisopropyl 2-oxomalonate is 7447-54-3.
What is the molecular formula of Diisopropyl 2-oxomalonate?
The molecular formula of Diisopropyl 2-oxomalonate is C9H14O5.
What is the molecular weight of Diisopropyl 2-oxomalonate?
The molecular weight of Diisopropyl 2-oxomalonate is 202.08 g/mol.
Where can I buy Diisopropyl 2-oxomalonate?
You can request a quote for Diisopropyl 2-oxomalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl 2-oxomalonate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl 2-oxomalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.