Badrakemin acetate
TL;DR: Badrakemin acetate (CAS 54019-61-3) is a chemical compound with molecular formula C26H32O5 and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4aR,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
Also Known As: Badrakemin acetate, (2S,4aR,5R,8aS)-1,1,4a-trimethyl-6-methylene-5-(((2-oxo-2H-chromen-7-yl)oxy)methyl)decahydronaphthalen-2-yl acetate, [(2S,4aR,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
| Molecular Formula | C26H32O5 |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 5.5122 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.22498 |
| Heavy Atoms | 31 |
| Complexity | 1064.897 |
Chemical Identifiers
| CAS Number | 54019-61-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CC[C@@]2([C@@H](C1(C)C)CCC(=C)[C@H]2COC3=CC4=C(C=C3)C=CC(=O)O4)C |
Product Overview
Badrakemin acetate (CAS 54019-61-3), with molecular formula C26H32O5 and molecular weight 424.22 g/mol. IUPAC: [(2S,4aR,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate.
Chemical Property Profile of Badrakemin acetate
Property Insights of Badrakemin acetate
The XLogP value of 5.5122 indicates that Badrakemin acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Badrakemin acetate. Following Lipinski's Rule of Five, Badrakemin acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Badrakemin acetate?
The CAS number of Badrakemin acetate is 54019-61-3.
What is the molecular formula of Badrakemin acetate?
The molecular formula of Badrakemin acetate is C26H32O5.
What is the molecular weight of Badrakemin acetate?
The molecular weight of Badrakemin acetate is 424.22 g/mol.
Where can I buy Badrakemin acetate?
You can request a quote for Badrakemin acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Badrakemin acetate?
Yes, KEHONG BIO provides custom synthesis services for Badrakemin acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.