Karenin
TL;DR: Karenin (CAS 165171-15-3) is a chemical compound with molecular formula C39H54O6 and molecular weight 618.392 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid
Also Known As: Karenin, cis-Karenin, (trans)-isomer of karenin, (1S,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-4a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid, 3-Hydroxy-28-p-coumaroyloxyurs-12-en-27-oic acid
Technical Specifications
| Molecular Formula | C39H54O6 |
| Molecular Weight | 618.392 g/mol |
| XLogP | 8.3 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 618.392 Da |
| Heavy Atoms | 45 |
| Complexity | 1230.0 |
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C(=O)O)COC(=O)/C=C\C6=CC=C(C=C6)O |
| InChIKey | AMRCFELIZUVBKY-APYUJPLLSA-N |
Chemical Property Profile of Karenin
Property Insights of Karenin
The XLogP value of 8.3 indicates that Karenin 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 Karenin. Following Lipinski's Rule of Five, Karenin has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Karenin?
The CAS number of Karenin is 165171-15-3.
What is the molecular formula of Karenin?
The molecular formula of Karenin is C39H54O6.
What is the molecular weight of Karenin?
The molecular weight of Karenin is 618.392 g/mol.
Where can I buy Karenin?
You can request a quote for Karenin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Karenin?
Yes, CoreyChem provides custom synthesis services for Karenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.