Funebradiol
TL;DR: Funebradiol (CAS 133086-87-0) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-4-[2,5-bis(hydroxymethyl)pyrrol-1-yl]-2,3-dimethyl-2H-furan-5-one
Also Known As: Funebradiol, (2R)-4-[2,5-bis(hydroxymethyl)pyrrol-1-yl]-2,3-dimethyl-2H-furan-5-one, 2(5H)-Furanone, 3-(2,5-bis(hydroxymethyl)-1H-pyrrol-1-yl)-4,5-dimethyl-, (R)-, (2R)-4-(2,5-bis(hydroxymethyl)pyrrol-1-yl)-2,3-dimethyl-2H-furan-5-one, 3-[2,5-Bis(hydroxymethyl)-1H-pyrrol-1-yl]-4,5-dimethylfuran-2(5H)-one
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 71.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 133086-87-0 |
|---|---|
| SMILES | C[C@@H]1C(=C(C(=O)O1)N2C(=CC=C2CO)CO)C |
| InChIKey | GQPHVVDGJWHSMR-MRVPVSSYSA-N |
Product Overview
Funebradiol (CAS 133086-87-0), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: (2R)-4-[2,5-bis(hydroxymethyl)pyrrol-1-yl]-2,3-dimethyl-2H-furan-5-one.
Chemical Property Profile of Funebradiol
Property Insights of Funebradiol
The XLogP value of -0.6 indicates that Funebradiol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Funebradiol. Following Lipinski's Rule of Five, Funebradiol 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 Funebradiol?
The CAS number of Funebradiol is 133086-87-0.
What is the molecular formula of Funebradiol?
The molecular formula of Funebradiol is C12H15NO4.
What is the molecular weight of Funebradiol?
The molecular weight of Funebradiol is 237.10 g/mol.
Where can I buy Funebradiol?
You can request a quote for Funebradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Funebradiol?
Yes, KEHONG BIO provides custom synthesis services for Funebradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.