Dihydrochaparrinone
TL;DR: Dihydrochaparrinone (CAS 4547-22-2) is a chemical compound with molecular formula C20H28O7 and molecular weight 380.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5R,6R,7S,11R,13S,17S,18S,19S)-4,5,17-trihydroxy-6,14,18-trimethyl-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecane-9,16-dione
Also Known As: Dihydrochaparrinone, 3,4-Dihydrochaparrinone, Picrasane-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-, (1-beta,4-xi,11-beta,12-alpha)-, (1S,2R,3R,3aS,6aR,7aS,11S,11aS,11bS)-1,2,11-Trihydroxy-3,8,11a-trimethyldecahydro-2H-11c,1-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6aH)-dione, 1,2,11-Trihydroxy-3,8,11a-trimethyldecahydro-2H-11c,1-(epoxymethano)phenanthro[10,1-bc]pyran-5,10(3H,6aH)-dione
| Molecular Formula | C20H28O7 |
|---|---|
| Molecular Weight | 380.18 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 380.1835 |
| Heavy Atoms | 27 |
| Complexity | 723.0 |
Chemical Identifiers
| CAS Number | 4547-22-2 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2CC(=O)O[C@H]3C24[C@@H]([C@@]5([C@@H](C3)C(CC(=O)[C@H]5O)C)C)[C@@]([C@@H]1O)(CO4)O |
| InChIKey | ZCAKGRFWNGSWEO-MOCWUDHTSA-N |
Product Overview
Dihydrochaparrinone (CAS 4547-22-2), with molecular formula C20H28O7 and molecular weight 380.18 g/mol. IUPAC: (4S,5R,6R,7S,11R,13S,17S,18S,19S)-4,5,17-trihydroxy-6,14,18-trimethyl-2,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadecane-9,16-dione.
Chemical Property Profile of Dihydrochaparrinone
Property Insights of Dihydrochaparrinone
The XLogP value of -0.2 indicates that Dihydrochaparrinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dihydrochaparrinone. Following Lipinski's Rule of Five, Dihydrochaparrinone has 3 hydrogen bond donor(s) and 7 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 Dihydrochaparrinone?
The CAS number of Dihydrochaparrinone is 4547-22-2.
What is the molecular formula of Dihydrochaparrinone?
The molecular formula of Dihydrochaparrinone is C20H28O7.
What is the molecular weight of Dihydrochaparrinone?
The molecular weight of Dihydrochaparrinone is 380.18 g/mol.
Where can I buy Dihydrochaparrinone?
You can request a quote for Dihydrochaparrinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydrochaparrinone?
Yes, KEHONG BIO provides custom synthesis services for Dihydrochaparrinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.