Kairatenyl Palmitate
TL;DR: Kairatenyl Palmitate (CAS 455253-27-7) is a chemical compound with molecular formula C46H80O2 and molecular weight 664.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,6,7,8,10,11,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
Also Known As: Kairatenyl Palmitate, J1.796.738J, [(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,6,7,8,10,11,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate, (17S)-22,22-Dimethyl-29,30-dinorurs-12-ene-3beta-ol palmitate, ((3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,6,7,8,10,11,12,12a,14,14a-tetradecahydropicen-3-yl) hexadecanoate
| Molecular Formula | C46H80O2 |
|---|---|
| Molecular Weight | 664.62 g/mol |
| LogP | 17.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 664.61584 |
| Heavy Atoms | 48 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 455253-27-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@]5([C@H]4CCCC5(C)C)C)C)C)C |
| InChIKey | LFBNQDYKXBDQSB-LEZMQJCVSA-N |
Product Overview
Kairatenyl Palmitate (CAS 455253-27-7), with molecular formula C46H80O2 and molecular weight 664.62 g/mol. IUPAC: [(3S,4aR,6aR,6bS,8aS,12aR,14aR,14bR)-4,4,6a,6b,8a,9,9,14b-octamethyl-1,2,3,4a,5,6,7,8,10,11,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate.
Chemical Property Profile of Kairatenyl Palmitate
Property Insights of Kairatenyl Palmitate
The XLogP value of 17.1 indicates that Kairatenyl Palmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Kairatenyl Palmitate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kairatenyl Palmitate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kairatenyl Palmitate?
The CAS number of Kairatenyl Palmitate is 455253-27-7.
What is the molecular formula of Kairatenyl Palmitate?
The molecular formula of Kairatenyl Palmitate is C46H80O2.
What is the molecular weight of Kairatenyl Palmitate?
The molecular weight of Kairatenyl Palmitate is 664.62 g/mol.
Where can I buy Kairatenyl Palmitate?
You can request a quote for Kairatenyl Palmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kairatenyl Palmitate?
Yes, KEHONG BIO provides custom synthesis services for Kairatenyl Palmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.