Calotropagenin, anhydro-
TL;DR: Calotropagenin, anhydro- (CAS 102107-27-7) is a chemical compound with molecular formula C23H30O5 and molecular weight 386.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,5S,8R,9S,10R,13R,17S)-2,3-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Anhydrocalotropagenin, Calotropagenin, anhydro-, Carda-14,20(22)-dienolide, 2,3-dihydroxy-19-oxo-, (2-alpha,3-beta,5-alpha)-, 2alpha,3beta-Dihydroxy-19-oxo-5alpha-carda-14,20(22)-dienolide, Carda-14,20(22)-dienolide, 2,3-dihydroxy-19-oxo-, (2-alpha,3-beta,5-alpha)-(9CI)
| Molecular Formula | C23H30O5 |
|---|---|
| Molecular Weight | 386.21 g/mol |
| LogP | 2.5593 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.20932 |
| Heavy Atoms | 28 |
| Complexity | 768.95435 |
Chemical Identifiers
| CAS Number | 102107-27-7 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H](C1=CC[C@@H]2C4=CC(=O)OC4)CC[C@@H]5[C@@]3(C[C@H]([C@@H](C5)O)O)C=O |
Product Overview
Calotropagenin, anhydro- (CAS 102107-27-7), with molecular formula C23H30O5 and molecular weight 386.21 g/mol. IUPAC: (2R,3R,5S,8R,9S,10R,13R,17S)-2,3-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde.
Chemical Property Profile of Calotropagenin, anhydro-
Property Insights of Calotropagenin, anhydro-
The XLogP value of 2.5593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calotropagenin, anhydro-. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Calotropagenin, anhydro-. Following Lipinski's Rule of Five, Calotropagenin, anhydro- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calotropagenin, anhydro-?
The CAS number of Calotropagenin, anhydro- is 102107-27-7.
What is the molecular formula of Calotropagenin, anhydro-?
The molecular formula of Calotropagenin, anhydro- is C23H30O5.
What is the molecular weight of Calotropagenin, anhydro-?
The molecular weight of Calotropagenin, anhydro- is 386.21 g/mol.
Where can I buy Calotropagenin, anhydro-?
You can request a quote for Calotropagenin, anhydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calotropagenin, anhydro-?
Yes, KEHONG BIO provides custom synthesis services for Calotropagenin, anhydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.