1,3-Bis(hydroxyimino)propan-2-one
TL;DR: 1,3-Bis(hydroxyimino)propan-2-one (CAS 41886-31-1) is a chemical compound with molecular formula C3H4N2O3 and molecular weight 116.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis(hydroxyimino)propan-2-one
Also Known As: 2-oxopropanedial 1,3-dioxime, 1,3-dioximino-2-propanone, 1,3-bis(hydroxyimino)propan-2-one, propanone, 1,3-bis(hydroxyimino)-, Propanedial, 2-oxo-, 1,3-dioxime
| Molecular Formula | C3H4N2O3 |
|---|---|
| Molecular Weight | 116.02 g/mol |
| LogP | -0.5245 |
| Topological Polar Surface Area | 82.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 116.022194 |
| Heavy Atoms | 8 |
| Complexity | 114.49023 |
Chemical Identifiers
| CAS Number | 41886-31-1 |
|---|---|
| SMILES | C(=NO)C(=O)C=NO |
Product Overview
1,3-Bis(hydroxyimino)propan-2-one (CAS 41886-31-1), with molecular formula C3H4N2O3 and molecular weight 116.02 g/mol. IUPAC: 1,3-bis(hydroxyimino)propan-2-one.
Chemical Property Profile of 1,3-Bis(hydroxyimino)propan-2-one
Property Insights of 1,3-Bis(hydroxyimino)propan-2-one
The XLogP value of -0.5245 indicates that 1,3-Bis(hydroxyimino)propan-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(hydroxyimino)propan-2-one. Following Lipinski's Rule of Five, 1,3-Bis(hydroxyimino)propan-2-one has 2 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 1,3-Bis(hydroxyimino)propan-2-one?
The CAS number of 1,3-Bis(hydroxyimino)propan-2-one is 41886-31-1.
What is the molecular formula of 1,3-Bis(hydroxyimino)propan-2-one?
The molecular formula of 1,3-Bis(hydroxyimino)propan-2-one is C3H4N2O3.
What is the molecular weight of 1,3-Bis(hydroxyimino)propan-2-one?
The molecular weight of 1,3-Bis(hydroxyimino)propan-2-one is 116.02 g/mol.
Where can I buy 1,3-Bis(hydroxyimino)propan-2-one?
You can request a quote for 1,3-Bis(hydroxyimino)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Bis(hydroxyimino)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Bis(hydroxyimino)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.