王冠内酯甲酯
TL;DR: 王冠内酯甲酯 (CAS 268214-50-2) is a chemical compound with molecular formula C31H44O5 and molecular weight 496.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
王冠内酯甲酯
methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-5-methylidene-14-[(2R)-6-methyl-7-oxohept-5-en-2-yl]-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoate
Also Known As: Coronalolide methyl ester, NCI60_028561, methyl 3-[(1as,3ar,4r,6as,6bs,7ar,10ar,10br)-3a,6a-dimethyl-10-methylidene-4-[(2r)-6-methyl-7-oxohept-5-en-2-yl]-9-oxododecahydro-1h-cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2h)-yl]propanoate
| Molecular Formula | C31H44O5 |
|---|---|
| Molecular Weight | 496.32 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.31888 |
| Heavy Atoms | 36 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 268214-50-2 |
|---|---|
| SMILES | C[C@H](CCC=C(C)C=O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C[C@@H]5[C@H]([C@]3(C4)CCC(=O)OC)C(=C)C(=O)O5)C)C |
| InChIKey | FPFAZZFTBDKRJL-NOYYCYTFSA-N |
Product Overview
王冠内酯甲酯 (CAS 268214-50-2), with molecular formula C31H44O5 and molecular weight 496.32 g/mol. IUPAC: methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-5-methylidene-14-[(2R)-6-methyl-7-oxohept-5-en-2-yl]-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoate.
Chemical Property Profile of 王冠内酯甲酯
Property Insights of 王冠内酯甲酯
The XLogP value of 6.9 indicates that 王冠内酯甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 王冠内酯甲酯. Following Lipinski's Rule of Five, 王冠内酯甲酯 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 王冠内酯甲酯?
The CAS number of 王冠内酯甲酯 is 268214-50-2.
What is the molecular formula of 王冠内酯甲酯?
The molecular formula of 王冠内酯甲酯 is C31H44O5.
What is the molecular weight of 王冠内酯甲酯?
The molecular weight of 王冠内酯甲酯 is 496.32 g/mol.
Where can I buy 王冠内酯甲酯?
You can request a quote for 王冠内酯甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 王冠内酯甲酯?
Yes, KEHONG BIO provides custom synthesis services for 王冠内酯甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.