o-Cinnamoyltaxicin-i
TL;DR: o-Cinnamoyltaxicin-i (CAS 11034-45-0) is a chemical compound with molecular formula C29H36O7 and molecular weight 496.25 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)-1,2,9,10-tetrahydroxy-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: o-Cinnamoyltaxicin-i, Taxicin I, monocinnamate, Taxicin I, o-cinnamoyl-, 5alpha-Cinnamoyltaxicin I, o-Cinnamoyltaxicin-i [MI]
| Molecular Formula | C29H36O7 |
|---|---|
| Molecular Weight | 496.25 g/mol |
| LogP | 2.727 |
| Topological Polar Surface Area | 124.29 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 496.2461 |
| Heavy Atoms | 36 |
| Complexity | 1133.5366 |
Chemical Identifiers
| CAS Number | 11034-45-0 |
|---|---|
| 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)O)OC(=O)/C=C/C4=CC=CC=C4)C)O)O |
Product Overview
o-Cinnamoyltaxicin-i (CAS 11034-45-0), with molecular formula C29H36O7 and molecular weight 496.25 g/mol. IUPAC: [(1S,2S,3R,5S,8R,9R,10R)-1,2,9,10-tetrahydroxy-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
Property Insights of o-Cinnamoyltaxicin-i
The XLogP value of 2.727 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Cinnamoyltaxicin-i. The TPSA of 124.29 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Cinnamoyltaxicin-i. Following Lipinski's Rule of Five, o-Cinnamoyltaxicin-i has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of o-Cinnamoyltaxicin-i?
The CAS number of o-Cinnamoyltaxicin-i is 11034-45-0.
What is the molecular formula of o-Cinnamoyltaxicin-i?
The molecular formula of o-Cinnamoyltaxicin-i is C29H36O7.
What is the molecular weight of o-Cinnamoyltaxicin-i?
The molecular weight of o-Cinnamoyltaxicin-i is 496.25 g/mol.
Where can I buy o-Cinnamoyltaxicin-i?
You can request a quote for o-Cinnamoyltaxicin-i 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?
Yes, KEHONG BIO provides custom synthesis services for o-Cinnamoyltaxicin-i and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.