Climacterone
TL;DR: Climacterone (CAS 8063-58-9) is a chemical compound with molecular formula C97H128N2O11 and molecular weight 1496.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,13S,14S,17S)-3-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate;[(3Z,10R,13S)-3-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate;[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Also Known As: Climacteron, Climacterone, [(8R,9S,13S,14S,17S)-3-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate;[(3Z,10R,13S)-3-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate;[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate, Estra-1,3,5(10)-triene-3,17-diol (17beta)-, diheptanoate, mixt. with (17beta)-17-hydroxyestra-1,3,5(10)-trien-3-yl benzoate and alpha-hydroxy-alpha-phenylbenzeneacetic acid (17beta)-(17-((1-oxoheptyl)oxy)androst-4-en-3-ylidene)hydrazide
| Molecular Formula | C97H128N2O11 |
|---|---|
| Molecular Weight | 1496.95 g/mol |
| LogP | 21.6632 |
| Topological Polar Surface Area | 187.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Exact Mass | 1496.9518 |
| Heavy Atoms | 110 |
| Complexity | 3999.6763 |
Chemical Identifiers
| CAS Number | 8063-58-9 |
|---|---|
| SMILES | CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)OC(=O)CCCCCC)C.CCCCCCC(=O)OC1CCC2[C@@]1(CCC3C2CCC4=C/C(=N\NC(=O)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)/CC[C@]34C)C.C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5 |
Product Overview
Climacterone (CAS 8063-58-9), with molecular formula C97H128N2O11 and molecular weight 1496.95 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-3-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate;[(3Z,10R,13S)-3-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate;[(13S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate.
Chemical Property Profile of Climacterone
Property Insights of Climacterone
The XLogP value of 21.6632 indicates that Climacterone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 187.12 Ų indicates high polarity, suggesting Climacterone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Climacterone has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Climacterone?
The CAS number of Climacterone is 8063-58-9.
What is the molecular formula of Climacterone?
The molecular formula of Climacterone is C97H128N2O11.
What is the molecular weight of Climacterone?
The molecular weight of Climacterone is 1496.95 g/mol.
Where can I buy Climacterone?
You can request a quote for Climacterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Climacterone?
Yes, KEHONG BIO provides custom synthesis services for Climacterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.