Tubiferolide Methyl Ester
TL;DR: Tubiferolide Methyl Ester (CAS 678188-35-7) is a chemical compound with molecular formula C31H46O4 and molecular weight 482.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoate
Also Known As: Tubiferolide methyl ester, Tubiferolidemethylester, Turbiferolide Methyl Ester, methyl 3-[[(1R)-1,5-dimethylhex-4-enyl]-dimethyl-methylene-oxo-[?]yl]propanoate, 1H-Cyclopenta[7,8]cyclopropa[4,4a]naphtho[2,3-b]furan-10b(2H)-propanoic acid, 4-[(1R)-1,5-dimethyl-4-hexenyl]dodecahydro-3a,6a-dimethyl-10-methylene-9-oxo-, methyl ester, (1aS,3aR,4R,6aS,6bS,7aR,10aR,10bR)-
| Molecular Formula | C31H46O4 |
|---|---|
| Molecular Weight | 482.34 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.3396 |
| Heavy Atoms | 35 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 678188-35-7 |
|---|---|
| SMILES | C[C@H](CCC=C(C)C)[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 | CLKPXYYJFFVZSE-NOYYCYTFSA-N |
Product Overview
Tubiferolide Methyl Ester (CAS 678188-35-7), with molecular formula C31H46O4 and molecular weight 482.34 g/mol. IUPAC: methyl 3-[(1S,3R,4R,8R,10S,11S,14R,15R)-11,15-dimethyl-14-[(2R)-6-methylhept-5-en-2-yl]-5-methylidene-6-oxo-7-oxapentacyclo[8.7.0.01,3.04,8.011,15]heptadecan-3-yl]propanoate.
Chemical Property Profile of Tubiferolide Methyl Ester
Property Insights of Tubiferolide Methyl Ester
The XLogP value of 8.3 indicates that Tubiferolide Methyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Tubiferolide Methyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tubiferolide Methyl Ester 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 Tubiferolide Methyl Ester?
The CAS number of Tubiferolide Methyl Ester is 678188-35-7.
What is the molecular formula of Tubiferolide Methyl Ester?
The molecular formula of Tubiferolide Methyl Ester is C31H46O4.
What is the molecular weight of Tubiferolide Methyl Ester?
The molecular weight of Tubiferolide Methyl Ester is 482.34 g/mol.
Where can I buy Tubiferolide Methyl Ester?
You can request a quote for Tubiferolide Methyl Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tubiferolide Methyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Tubiferolide Methyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.