3,14,19-Trihydroxycarda-5,20(22)-dienolide
TL;DR: 3,14,19-Trihydroxycarda-5,20(22)-dienolide (CAS 546-03-2) is a chemical compound with molecular formula C23H32O5 and molecular weight 388.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S,10S,13R,14S)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Pachygenol, 3,14,19-Trihydroxycarda-5,20(22)-dienolide, 4-18-00-02541 (Beilstein Handbook Reference), CARDA-5,20(22)-DIENOLIDE, 3-beta,14,19-TRIHYDROXY-, A,14,19-Trihydroxy-14
| Molecular Formula | C23H32O5 |
|---|---|
| Molecular Weight | 388.22 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.22498 |
| Heavy Atoms | 28 |
| Complexity | 756.0 |
Chemical Identifiers
| CAS Number | 546-03-2 |
|---|---|
| SMILES | C[C@]12CCC3C([C@]1(CCC2C4=CC(=O)OC4)O)CC=C5[C@@]3(CC[C@@H](C5)O)CO |
| InChIKey | DUSRIIPEQBGMHU-KQYWMCCWSA-N |
Product Overview
3,14,19-Trihydroxycarda-5,20(22)-dienolide (CAS 546-03-2), with molecular formula C23H32O5 and molecular weight 388.22 g/mol. IUPAC: 3-[(3S,10S,13R,14S)-3,14-dihydroxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
Chemical Property Profile of 3,14,19-Trihydroxycarda-5,20(22)-dienolide
Property Insights of 3,14,19-Trihydroxycarda-5,20(22)-dienolide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,14,19-Trihydroxycarda-5,20(22)-dienolide. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,14,19-Trihydroxycarda-5,20(22)-dienolide. Following Lipinski's Rule of Five, 3,14,19-Trihydroxycarda-5,20(22)-dienolide has 3 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 3,14,19-Trihydroxycarda-5,20(22)-dienolide?
The CAS number of 3,14,19-Trihydroxycarda-5,20(22)-dienolide is 546-03-2.
What is the molecular formula of 3,14,19-Trihydroxycarda-5,20(22)-dienolide?
The molecular formula of 3,14,19-Trihydroxycarda-5,20(22)-dienolide is C23H32O5.
What is the molecular weight of 3,14,19-Trihydroxycarda-5,20(22)-dienolide?
The molecular weight of 3,14,19-Trihydroxycarda-5,20(22)-dienolide is 388.22 g/mol.
Where can I buy 3,14,19-Trihydroxycarda-5,20(22)-dienolide?
You can request a quote for 3,14,19-Trihydroxycarda-5,20(22)-dienolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,14,19-Trihydroxycarda-5,20(22)-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3,14,19-Trihydroxycarda-5,20(22)-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.