Nirurinetin
TL;DR: Nirurinetin (CAS 96253-70-2) is a chemical compound with molecular formula C20H20O6 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Also Known As: Nirurinetin, (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one, (2S)-2,3-Dihydro-5,6,7-trihydroxy-2alpha-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one, (2S)-5,6,7-Trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-1-benzopyran-4-one
| Molecular Formula | C20H20O6 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.12598 |
| Heavy Atoms | 26 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 96253-70-2 |
|---|---|
| SMILES | CC(=CCC1=C(C(=C(C2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)O)O)C |
| InChIKey | JNPUBFNFLJGQTL-HNNXBMFYSA-N |
Product Overview
Nirurinetin (CAS 96253-70-2), with molecular formula C20H20O6 and molecular weight 356.13 g/mol. IUPAC: (2S)-5,6,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.
Chemical Property Profile of Nirurinetin
Property Insights of Nirurinetin
The XLogP value of 4.0 indicates that Nirurinetin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nirurinetin. Following Lipinski's Rule of Five, Nirurinetin has 4 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 Nirurinetin?
The CAS number of Nirurinetin is 96253-70-2.
What is the molecular formula of Nirurinetin?
The molecular formula of Nirurinetin is C20H20O6.
What is the molecular weight of Nirurinetin?
The molecular weight of Nirurinetin is 356.13 g/mol.
Where can I buy Nirurinetin?
You can request a quote for Nirurinetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nirurinetin?
Yes, KEHONG BIO provides custom synthesis services for Nirurinetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.