4-Acetylaplykurodin B
TL;DR: 4-Acetylaplykurodin B (CAS 142780-49-2) is a chemical compound with molecular formula C22H34O4 and molecular weight 362.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-2-(6-methylhept-5-en-2-yl)-6-oxo-5-oxatricyclo[6.3.1.04,12]dodecan-9-yl] acetate
Also Known As: 4-Acetylaplykurodin B, [1-Methyl-2-(6-methylhept-5-en-2-yl)-6-oxo-5-oxatricyclo[6.3.1.04,12]dodecan-9-yl] acetate, 6a-Methyl-7-(6-methylhept-5-en-2-yl)-2-oxodecahydro-2H-indeno[1,7-bc]pyran-4-yl acetate, 2H-Cyclopenta(ij)(2)benzopyran-2-one, 4-(acetyloxy)-7-(1,5-dimethyl-4-hexenyl)decahydro-6a-methyl-, (3aR-(3aalpha,4beta,6abeta,7beta(R*),8abeta,8bbeta))-
| Molecular Formula | C22H34O4 |
|---|---|
| Molecular Weight | 362.25 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.2457 |
| Heavy Atoms | 26 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 142780-49-2 |
|---|---|
| SMILES | CC(CCC=C(C)C)C1CC2C3C1(CCC(C3CC(=O)O2)OC(=O)C)C |
| InChIKey | RIEMONVULWSQQO-UHFFFAOYSA-N |
Product Overview
4-Acetylaplykurodin B (CAS 142780-49-2), with molecular formula C22H34O4 and molecular weight 362.25 g/mol. IUPAC: [1-methyl-2-(6-methylhept-5-en-2-yl)-6-oxo-5-oxatricyclo[6.3.1.04,12]dodecan-9-yl] acetate.
Chemical Property Profile of 4-Acetylaplykurodin B
Property Insights of 4-Acetylaplykurodin B
The XLogP value of 5.2 indicates that 4-Acetylaplykurodin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Acetylaplykurodin B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetylaplykurodin B has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Acetylaplykurodin B?
The CAS number of 4-Acetylaplykurodin B is 142780-49-2.
What is the molecular formula of 4-Acetylaplykurodin B?
The molecular formula of 4-Acetylaplykurodin B is C22H34O4.
What is the molecular weight of 4-Acetylaplykurodin B?
The molecular weight of 4-Acetylaplykurodin B is 362.25 g/mol.
Where can I buy 4-Acetylaplykurodin B?
You can request a quote for 4-Acetylaplykurodin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylaplykurodin B?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylaplykurodin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.