3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate
TL;DR: 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate (CAS 67463-05-2) is a chemical compound with molecular formula C28H40O9 and molecular weight 520.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate
Also Known As: 14-beta,17-alpha-Pregnan-20-one, 3-beta,5-beta,14,19,21-pentahydroxy-, 21-acrylate, 3,19-diacetate, 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate, (14beta,17R)-3beta,5beta,14,19,21-Pentahydroxypregnan-20-one 21-acrylate 3,19-diacetate, [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate, 2-[(1R,3aS,3bR,5aS,7S,9aR,9bS,11aR)-7-(acetyloxy)-9a-[(acetyloxy)methyl]-3a,5a-dihydroxy-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl prop-2-enoate
| Molecular Formula | C28H40O9 |
|---|---|
| Molecular Weight | 520.27 g/mol |
| LogP | 2.6483 |
| Topological Polar Surface Area | 136.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.2672 |
| Heavy Atoms | 37 |
| Complexity | 976.69965 |
Chemical Identifiers
| CAS Number | 67463-05-2 |
|---|---|
| SMILES | CC(=O)OC[C@]12CC[C@@H](C[C@]1(CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@H]4C(=O)COC(=O)C=C)O)C)O)OC(=O)C |
Product Overview
3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate (CAS 67463-05-2), with molecular formula C28H40O9 and molecular weight 520.27 g/mol. IUPAC: [2-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] prop-2-enoate.
Chemical Property Profile of 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate
Property Insights of 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate
The XLogP value of 2.6483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate. The TPSA of 136.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate. Following Lipinski's Rule of Five, 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate?
The CAS number of 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate is 67463-05-2.
What is the molecular formula of 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate?
The molecular formula of 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate is C28H40O9.
What is the molecular weight of 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate?
The molecular weight of 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate is 520.27 g/mol.
Where can I buy 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate?
You can request a quote for 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 3,19-Bis(acetyloxy)-5,14-dihydroxy-20-oxopregnan-21-yl prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.