2-Deacetoxytaxinine J
TL;DR: 2-Deacetoxytaxinine J (CAS 119347-14-7) is a chemical compound with molecular formula C37H46O10 and molecular weight 650.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,5S,7S,8S,9R,10R,13S)-7,9,10,13-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate
Also Known As: 2-Deacetoxytaxinine J
| Molecular Formula | C37H46O10 |
|---|---|
| Molecular Weight | 650.31 g/mol |
| LogP | 5.6871 |
| Topological Polar Surface Area | 131.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 650.3091 |
| Heavy Atoms | 47 |
| Complexity | 1487.2048 |
Chemical Identifiers
| CAS Number | 119347-14-7 |
|---|---|
| SMILES | CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3CC(C2(C)C)C[C@@H]1OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)OC(=O)C)C)OC(=O)C)OC(=O)C |
Product Overview
2-Deacetoxytaxinine J (CAS 119347-14-7), with molecular formula C37H46O10 and molecular weight 650.31 g/mol. IUPAC: [(3R,5S,7S,8S,9R,10R,13S)-7,9,10,13-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate.
Chemical Property Profile of 2-Deacetoxytaxinine J
Property Insights of 2-Deacetoxytaxinine J
The XLogP value of 5.6871 indicates that 2-Deacetoxytaxinine J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Deacetoxytaxinine J. Following Lipinski's Rule of Five, 2-Deacetoxytaxinine J has 0 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 2-Deacetoxytaxinine J?
The CAS number of 2-Deacetoxytaxinine J is 119347-14-7.
What is the molecular formula of 2-Deacetoxytaxinine J?
The molecular formula of 2-Deacetoxytaxinine J is C37H46O10.
What is the molecular weight of 2-Deacetoxytaxinine J?
The molecular weight of 2-Deacetoxytaxinine J is 650.31 g/mol.
Where can I buy 2-Deacetoxytaxinine J?
You can request a quote for 2-Deacetoxytaxinine J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Deacetoxytaxinine J?
Yes, KEHONG BIO provides custom synthesis services for 2-Deacetoxytaxinine J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.