![3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide structure](/static/products/1736/1736-71-6.webp)
3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide
TL;DR: 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide (CAS 1736-71-6) is a chemical compound with molecular formula C25H31BrO6 and molecular weight 506.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10-formyl-5-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-bromoacetate
Also Known As: 3-[(bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide, [10-formyl-5-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-bromoacetate
| Molecular Formula | C25H31BrO6 |
|---|---|
| Molecular Weight | 506.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.1304 |
| Heavy Atoms | 32 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 1736-71-6 |
|---|---|
| SMILES | CC12CCC3C(C1=CCC2C4=CC(=O)OC4)CCC5(C3(CCC(C5)OC(=O)CBr)C=O)O |
| InChIKey | MPMCFMVNMGUZLX-UHFFFAOYSA-N |
Product Overview
3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide (CAS 1736-71-6), with molecular formula C25H31BrO6 and molecular weight 506.13 g/mol. IUPAC: [10-formyl-5-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,6,7,8,9,11,12,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 2-bromoacetate.
Chemical Property Profile of 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide
Property Insights of 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide
The XLogP value of 3.2 indicates that 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide. Following Lipinski's Rule of Five, 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide?
The CAS number of 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide is 1736-71-6.
What is the molecular formula of 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide?
The molecular formula of 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide is C25H31BrO6.
What is the molecular weight of 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide?
The molecular weight of 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide is 506.13 g/mol.
Where can I buy 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide?
You can request a quote for 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(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-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Bromoacetyl)oxy]-5-hydroxy-19-oxocarda-14,20(22)-dienolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.