Carpesterol
TL;DR: Carpesterol (CAS 31077-78-8) is a chemical compound with molecular formula C37H54O4 and molecular weight 562.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,5S,9R,14R,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-4,10,13-trimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: Carpesterol, cis-Nitrosobenzene dimer, 22-Hydroxy-4-methyl-6-oxostigmast-7-en-3-yl benzoate, Stigmast-7-en-6-one, 3-(benzoyloxy)-22-hydroxy-4-methyl-, (3beta,4alpha,5alpha,22R)-, (10xi,13xi,22R)-22-Hydroxy-4alpha-methyl-6-oxo-5alpha-stigmast-7-en-3-yl benzoate
| Molecular Formula | C37H54O4 |
|---|---|
| Molecular Weight | 562.40 g/mol |
| LogP | 8.2853 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.4022 |
| Heavy Atoms | 41 |
| Complexity | 1138.862 |
Chemical Identifiers
| CAS Number | 31077-78-8 |
|---|---|
| SMILES | CC[C@H](C[C@H]([C@@H](C)[C@H]1CC[C@@H]2C1(CC[C@H]3C2=CC(=O)[C@@H]4C3(CCC([C@H]4C)OC(=O)C5=CC=CC=C5)C)C)O)C(C)C |
Product Overview
Carpesterol (CAS 31077-78-8), with molecular formula C37H54O4 and molecular weight 562.40 g/mol. IUPAC: [(4S,5S,9R,14R,17R)-17-[(2S,3R,5R)-5-ethyl-3-hydroxy-6-methylheptan-2-yl]-4,10,13-trimethyl-6-oxo-1,2,3,4,5,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of Carpesterol
Property Insights of Carpesterol
The XLogP value of 8.2853 indicates that Carpesterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carpesterol. Following Lipinski's Rule of Five, Carpesterol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carpesterol?
The CAS number of Carpesterol is 31077-78-8.
What is the molecular formula of Carpesterol?
The molecular formula of Carpesterol is C37H54O4.
What is the molecular weight of Carpesterol?
The molecular weight of Carpesterol is 562.40 g/mol.
Where can I buy Carpesterol?
You can request a quote for Carpesterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carpesterol?
Yes, KEHONG BIO provides custom synthesis services for Carpesterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.