o-Cinnamoyltaxicin-i triacetate
TL;DR: o-Cinnamoyltaxicin-i triacetate (CAS 13452-36-3) is a chemical compound with molecular formula C35H42O10 and molecular weight 622.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,3R,5S,8R,9R,10R)-2,9,10-triacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
Also Known As: 1-Hydroxytaxinine, o-Cinnamoyltaxicin-i triacetate, Taxicin I, triacetate, cinnamate, o-Cinnamoyltaxicin-i triacetate [MI], 5-Cinnamoyltriacetyltaxicin I
| Molecular Formula | C35H42O10 |
|---|---|
| Molecular Weight | 622.28 g/mol |
| LogP | 4.4394 |
| Topological Polar Surface Area | 142.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 622.2778 |
| Heavy Atoms | 45 |
| Complexity | 1470.0167 |
Chemical Identifiers
| CAS Number | 13452-36-3 |
|---|---|
| SMILES | CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@](C2(C)C)(CC1=O)O)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)OC(=O)C)OC(=O)C |
Product Overview
o-Cinnamoyltaxicin-i triacetate (CAS 13452-36-3), with molecular formula C35H42O10 and molecular weight 622.28 g/mol. IUPAC: [(1S,2S,3R,5S,8R,9R,10R)-2,9,10-triacetyloxy-1-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of o-Cinnamoyltaxicin-i triacetate
Property Insights of o-Cinnamoyltaxicin-i triacetate
The XLogP value of 4.4394 indicates that o-Cinnamoyltaxicin-i triacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.5 Ų indicates high polarity, suggesting o-Cinnamoyltaxicin-i triacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, o-Cinnamoyltaxicin-i triacetate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of o-Cinnamoyltaxicin-i triacetate?
The CAS number of o-Cinnamoyltaxicin-i triacetate is 13452-36-3.
What is the molecular formula of o-Cinnamoyltaxicin-i triacetate?
The molecular formula of o-Cinnamoyltaxicin-i triacetate is C35H42O10.
What is the molecular weight of o-Cinnamoyltaxicin-i triacetate?
The molecular weight of o-Cinnamoyltaxicin-i triacetate is 622.28 g/mol.
Where can I buy o-Cinnamoyltaxicin-i triacetate?
You can request a quote for o-Cinnamoyltaxicin-i triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Cinnamoyltaxicin-i triacetate?
Yes, KEHONG BIO provides custom synthesis services for o-Cinnamoyltaxicin-i triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.