Cynanester A
TL;DR: Cynanester A (CAS 143502-52-7) is a chemical compound with molecular formula C36H60O2 and molecular weight 524.46 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] hexanoate
Also Known As: Cynanester A, Lup-20(29)-en-3-yl hexanoate, Lup-20(29)-en-3-ol, hexanoate, (3beta)-, Lup-20(29)-en-3beta-ol hexanoate, Lup-20(29)-en-3beta-yl hexanoate
| Molecular Formula | C36H60O2 |
|---|---|
| Molecular Weight | 524.46 g/mol |
| LogP | 12.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.45935 |
| Heavy Atoms | 38 |
| Complexity | 934.0 |
Chemical Identifiers
| CAS Number | 143502-52-7 |
|---|---|
| SMILES | CCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C)C(=C)C)C |
| InChIKey | RDMVPOZYOLCBLH-VQFBUESHSA-N |
Product Overview
Cynanester A (CAS 143502-52-7), with molecular formula C36H60O2 and molecular weight 524.46 g/mol. IUPAC: [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] hexanoate.
Chemical Property Profile of Cynanester A
Property Insights of Cynanester A
The XLogP value of 12.4 indicates that Cynanester A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cynanester A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cynanester A 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 Cynanester A?
The CAS number of Cynanester A is 143502-52-7.
What is the molecular formula of Cynanester A?
The molecular formula of Cynanester A is C36H60O2.
What is the molecular weight of Cynanester A?
The molecular weight of Cynanester A is 524.46 g/mol.
Where can I buy Cynanester A?
You can request a quote for Cynanester A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cynanester A?
Yes, KEHONG BIO provides custom synthesis services for Cynanester A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.