Cholesteryl 9-anthracenecarboxylate
TL;DR: Cholesteryl 9-anthracenecarboxylate (CAS 2641-40-9) is a chemical compound with molecular formula C42H54O2 and molecular weight 590.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] anthracene-9-carboxylate
Also Known As: Cholesteryl 9-anthracenecarboxylate, 9-Anthracenecarboxylic acid cholesteryl ester, [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] anthracene-9-carboxylate, [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] anthracene-9-carboxylate, [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] anthracene-9-carboxylate
| Molecular Formula | C42H54O2 |
|---|---|
| Molecular Weight | 590.41 g/mol |
| LogP | 11.5598 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 590.41235 |
| Heavy Atoms | 44 |
| Complexity | 1510.5432 |
Chemical Identifiers
| CAS Number | 2641-40-9 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=C6C=CC=CC6=CC7=CC=CC=C75)C)C |
Product Overview
Cholesteryl 9-anthracenecarboxylate (CAS 2641-40-9), with molecular formula C42H54O2 and molecular weight 590.41 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] anthracene-9-carboxylate.
Chemical Property Profile of Cholesteryl 9-anthracenecarboxylate
Property Insights of Cholesteryl 9-anthracenecarboxylate
The XLogP value of 11.5598 indicates that Cholesteryl 9-anthracenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholesteryl 9-anthracenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesteryl 9-anthracenecarboxylate 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 Cholesteryl 9-anthracenecarboxylate?
The CAS number of Cholesteryl 9-anthracenecarboxylate is 2641-40-9.
What is the molecular formula of Cholesteryl 9-anthracenecarboxylate?
The molecular formula of Cholesteryl 9-anthracenecarboxylate is C42H54O2.
What is the molecular weight of Cholesteryl 9-anthracenecarboxylate?
The molecular weight of Cholesteryl 9-anthracenecarboxylate is 590.41 g/mol.
Where can I buy Cholesteryl 9-anthracenecarboxylate?
You can request a quote for Cholesteryl 9-anthracenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesteryl 9-anthracenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Cholesteryl 9-anthracenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.