HERNANDIFOLINE
TL;DR: HERNANDIFOLINE (CAS 30511-63-8) is a chemical compound with molecular formula C29H33NO9 and molecular weight 539.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl) 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
Also Known As: HERNANDIFOLINE, STEPHISOFERULINE
| Molecular Formula | C29H33NO9 |
|---|---|
| Molecular Weight | 539.22 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.2155 |
| Heavy Atoms | 39 |
| Complexity | 963.0 |
Chemical Identifiers
| CAS Number | 30511-63-8 |
|---|---|
| SMILES | COC1C(CC23CCNC24C1(OC(C4)C5=C3C(=C(C=C5)OC)O)OC)OC(=O)C=CC6=CC(=C(C=C6)OC)O |
| InChIKey | YYOXLLHHBARIFS-UHFFFAOYSA-N |
Product Overview
HERNANDIFOLINE (CAS 30511-63-8), with molecular formula C29H33NO9 and molecular weight 539.22 g/mol. IUPAC: (3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl) 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of HERNANDIFOLINE
Property Insights of HERNANDIFOLINE
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HERNANDIFOLINE. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for HERNANDIFOLINE. Following Lipinski's Rule of Five, HERNANDIFOLINE has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of HERNANDIFOLINE?
The CAS number of HERNANDIFOLINE is 30511-63-8.
What is the molecular formula of HERNANDIFOLINE?
The molecular formula of HERNANDIFOLINE is C29H33NO9.
What is the molecular weight of HERNANDIFOLINE?
The molecular weight of HERNANDIFOLINE is 539.22 g/mol.
Where can I buy HERNANDIFOLINE?
You can request a quote for HERNANDIFOLINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HERNANDIFOLINE?
Yes, KEHONG BIO provides custom synthesis services for HERNANDIFOLINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.