isopropylidene (hydroxyimino)malonate
TL;DR: isopropylidene (hydroxyimino)malonate (CAS 81539-54-0) is a chemical compound with molecular formula C6H7NO5 and molecular weight 173.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxyimino-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: isopropylidene (hydroxyimino)malonate, 5-(hydroxyimino)-2,2-dimethyl-1,3-dioxane-4,6-dione, 3,5-Dioxahexaldoxin-2,6-dione-,4,4-dimethyl, 5-hydroxyimino-2,2-dimethyl-1,3-dioxane-4,6-dione, 2,2-Dimethyl-5-hydroxyimino-1,3-dioxane-4,6-dione
| Molecular Formula | C6H7NO5 |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | -0.3473 |
| Topological Polar Surface Area | 85.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.03242 |
| Heavy Atoms | 12 |
| Complexity | 245.11201 |
Chemical Identifiers
| CAS Number | 81539-54-0 |
|---|---|
| SMILES | CC1(OC(=O)C(=NO)C(=O)O1)C |
Product Overview
isopropylidene (hydroxyimino)malonate (CAS 81539-54-0), with molecular formula C6H7NO5 and molecular weight 173.03 g/mol. IUPAC: 5-hydroxyimino-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of isopropylidene (hydroxyimino)malonate
Property Insights of isopropylidene (hydroxyimino)malonate
The XLogP value of -0.3473 indicates that isopropylidene (hydroxyimino)malonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.19 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropylidene (hydroxyimino)malonate. Following Lipinski's Rule of Five, isopropylidene (hydroxyimino)malonate has 1 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 isopropylidene (hydroxyimino)malonate?
The CAS number of isopropylidene (hydroxyimino)malonate is 81539-54-0.
What is the molecular formula of isopropylidene (hydroxyimino)malonate?
The molecular formula of isopropylidene (hydroxyimino)malonate is C6H7NO5.
What is the molecular weight of isopropylidene (hydroxyimino)malonate?
The molecular weight of isopropylidene (hydroxyimino)malonate is 173.03 g/mol.
Where can I buy isopropylidene (hydroxyimino)malonate?
You can request a quote for isopropylidene (hydroxyimino)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropylidene (hydroxyimino)malonate?
Yes, KEHONG BIO provides custom synthesis services for isopropylidene (hydroxyimino)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.