Deisopropylngaione
TL;DR: Deisopropylngaione (CAS 53604-48-1) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,5S)-5-(furan-3-yl)-2-methyloxolan-2-yl]propan-2-one
Also Known As: Deisopropylngaione, DIN toxin, (-)-Deisopropylngaione, Deisopropylngaione, (-)-, KST-1B5007
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 53604-48-1 |
|---|---|
| SMILES | CC(=O)C[C@]1(CC[C@H](O1)C2=COC=C2)C |
| InChIKey | YKWSUSNJLLZKDK-NWDGAFQWSA-N |
Product Overview
Deisopropylngaione (CAS 53604-48-1), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 1-[(2R,5S)-5-(furan-3-yl)-2-methyloxolan-2-yl]propan-2-one.
Chemical Property Profile of Deisopropylngaione
Property Insights of Deisopropylngaione
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Deisopropylngaione. With a topological polar surface area (TPSA) of 39.4 Ų, Deisopropylngaione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deisopropylngaione has 0 hydrogen bond donor(s) and 3 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 Deisopropylngaione?
The CAS number of Deisopropylngaione is 53604-48-1.
What is the molecular formula of Deisopropylngaione?
The molecular formula of Deisopropylngaione is C12H16O3.
What is the molecular weight of Deisopropylngaione?
The molecular weight of Deisopropylngaione is 208.11 g/mol.
Where can I buy Deisopropylngaione?
You can request a quote for Deisopropylngaione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deisopropylngaione?
Yes, KEHONG BIO provides custom synthesis services for Deisopropylngaione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.