![bis(2-hydroxyethyl)-methyl-[?]dione structure](/static/products/7164/71647-48-8.webp)
bis(2-hydroxyethyl)-methyl-[?]dione
TL;DR: bis(2-hydroxyethyl)-methyl-[?]dione (CAS 71647-48-8) is a chemical compound with molecular formula C13H21N3O4 and molecular weight 283.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,7-bis(2-hydroxyethyl)-4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione
Also Known As: bis(2-hydroxyethyl)-methyl-[?]dione, 5,8-Ethano-1H-(1,2,4)triazolo(1,2-a)pyridazine-1,3(2H)-dione, tetrahydro-5,8-bis(2-hydroxyethyl)-2-methyl-, 4H-1,3-Oxazin-4-one,2-(methylphenylamino)-6-phenyl, 5,8-bis-(2-hydroxy-ethyl)-2-methyl-tetrahydro-5,8-ethano-[1,, 5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, tetrahydro-5,8-bis(2-hydroxyethyl)-2-methyl-
| Molecular Formula | C13H21N3O4 |
|---|---|
| Molecular Weight | 283.15 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.1532 |
| Heavy Atoms | 20 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 71647-48-8 |
|---|---|
| SMILES | CN1C(=O)N2C3(CCC(N2C1=O)(CC3)CCO)CCO |
| InChIKey | YEHNTVJCYFUEDB-UHFFFAOYSA-N |
Product Overview
bis(2-hydroxyethyl)-methyl-[?]dione (CAS 71647-48-8), with molecular formula C13H21N3O4 and molecular weight 283.15 g/mol. IUPAC: 1,7-bis(2-hydroxyethyl)-4-methyl-2,4,6-triazatricyclo[5.2.2.02,6]undecane-3,5-dione.
Chemical Property Profile of bis(2-hydroxyethyl)-methyl-[?]dione
Property Insights of bis(2-hydroxyethyl)-methyl-[?]dione
The XLogP value of -0.4 indicates that bis(2-hydroxyethyl)-methyl-[?]dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for bis(2-hydroxyethyl)-methyl-[?]dione. Following Lipinski's Rule of Five, bis(2-hydroxyethyl)-methyl-[?]dione has 2 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 bis(2-hydroxyethyl)-methyl-[?]dione?
The CAS number of bis(2-hydroxyethyl)-methyl-[?]dione is 71647-48-8.
What is the molecular formula of bis(2-hydroxyethyl)-methyl-[?]dione?
The molecular formula of bis(2-hydroxyethyl)-methyl-[?]dione is C13H21N3O4.
What is the molecular weight of bis(2-hydroxyethyl)-methyl-[?]dione?
The molecular weight of bis(2-hydroxyethyl)-methyl-[?]dione is 283.15 g/mol.
Where can I buy bis(2-hydroxyethyl)-methyl-[?]dione?
You can request a quote for bis(2-hydroxyethyl)-methyl-[?]dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bis(2-hydroxyethyl)-methyl-[?]dione?
Yes, KEHONG BIO provides custom synthesis services for bis(2-hydroxyethyl)-methyl-[?]dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.