Diisopropyl 2,2-dihydroxymalonate
TL;DR: Diisopropyl 2,2-dihydroxymalonate (CAS 70841-85-9) is a chemical compound with molecular formula C9H16O6 and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 2,2-dihydroxypropanedioate
Also Known As: Diisopropyl 2,2-dihydroxymalonate, Diisopropyl 2,2-dihydroxymalonate #, Dihydroxymalonic acid diisopropyl ester, dipropan-2-yl 2,2-dihydroxypropanedioate, J3.685.615G
| Molecular Formula | C9H16O6 |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.09468 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 70841-85-9 |
|---|---|
| SMILES | CC(C)OC(=O)C(C(=O)OC(C)C)(O)O |
| InChIKey | UMHBWDKYMLVAFY-UHFFFAOYSA-N |
Product Overview
Diisopropyl 2,2-dihydroxymalonate (CAS 70841-85-9), with molecular formula C9H16O6 and molecular weight 220.09 g/mol. IUPAC: dipropan-2-yl 2,2-dihydroxypropanedioate.
Chemical Property Profile of Diisopropyl 2,2-dihydroxymalonate
Property Insights of Diisopropyl 2,2-dihydroxymalonate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl 2,2-dihydroxymalonate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diisopropyl 2,2-dihydroxymalonate. Following Lipinski's Rule of Five, Diisopropyl 2,2-dihydroxymalonate has 2 hydrogen bond donor(s) and 6 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 2,2-dihydroxymalonate?
The CAS number of Diisopropyl 2,2-dihydroxymalonate is 70841-85-9.
What is the molecular formula of Diisopropyl 2,2-dihydroxymalonate?
The molecular formula of Diisopropyl 2,2-dihydroxymalonate is C9H16O6.
What is the molecular weight of Diisopropyl 2,2-dihydroxymalonate?
The molecular weight of Diisopropyl 2,2-dihydroxymalonate is 220.09 g/mol.
Where can I buy Diisopropyl 2,2-dihydroxymalonate?
You can request a quote for Diisopropyl 2,2-dihydroxymalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl 2,2-dihydroxymalonate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl 2,2-dihydroxymalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.