27-p-Coumaroyloxyursolic acid
TL;DR: 27-p-Coumaroyloxyursolic acid (CAS 73584-67-5) is a chemical compound with molecular formula C39H54O6 and molecular weight 618.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Also Known As: 27-p-Coumaroyloxyursolic acid, 27-p-Coumaroyloxy ursolic acid, B0005-150513, 10-hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid, CID 71307358
| Molecular Formula | C39H54O6 |
|---|---|
| Molecular Weight | 618.39 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 618.392 |
| Heavy Atoms | 45 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 73584-67-5 |
|---|---|
| SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)COC(=O)C=CC6=CC=C(C=C6)O)C(=O)O |
| InChIKey | RZHJGXXCTIXCRI-UHFFFAOYSA-N |
Product Overview
27-p-Coumaroyloxyursolic acid (CAS 73584-67-5), with molecular formula C39H54O6 and molecular weight 618.39 g/mol. IUPAC: 10-hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid.
Chemical Property Profile of 27-p-Coumaroyloxyursolic acid
Property Insights of 27-p-Coumaroyloxyursolic acid
The XLogP value of 8.2 indicates that 27-p-Coumaroyloxyursolic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 27-p-Coumaroyloxyursolic acid. Following Lipinski's Rule of Five, 27-p-Coumaroyloxyursolic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 27-p-Coumaroyloxyursolic acid?
The CAS number of 27-p-Coumaroyloxyursolic acid is 73584-67-5.
What is the molecular formula of 27-p-Coumaroyloxyursolic acid?
The molecular formula of 27-p-Coumaroyloxyursolic acid is C39H54O6.
What is the molecular weight of 27-p-Coumaroyloxyursolic acid?
The molecular weight of 27-p-Coumaroyloxyursolic acid is 618.39 g/mol.
Where can I buy 27-p-Coumaroyloxyursolic acid?
You can request a quote for 27-p-Coumaroyloxyursolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 27-p-Coumaroyloxyursolic acid?
Yes, KEHONG BIO provides custom synthesis services for 27-p-Coumaroyloxyursolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.