2-Deacetoxytaxinine J
TL;DR: 2-Deacetoxytaxinine J (CAS 18457-46-0) 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.
(7,9,10,13-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-phenylprop-2-enoate
Also Known As: 2-Deacetoxytaxinine J, Cuspidatin C, Taxinine J, NCI60_012233, (7,9,10,13-Tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-phenylprop-2-enoate
| Molecular Formula | C37H46O10 |
|---|---|
| Molecular Weight | 650.31 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 650.3091 |
| Heavy Atoms | 47 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 18457-46-0 |
|---|---|
| SMILES | CC1=C2C(C(C3(C(CC(C2(C)C)CC1OC(=O)C)C(=C)C(CC3OC(=O)C)OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C |
| InChIKey | MIJTXBNFQDJTPL-UHFFFAOYSA-N |
Product Overview
2-Deacetoxytaxinine J (CAS 18457-46-0), with molecular formula C37H46O10 and molecular weight 650.31 g/mol. IUPAC: (7,9,10,13-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-phenylprop-2-enoate.
Chemical Property Profile of 2-Deacetoxytaxinine J
Property Insights of 2-Deacetoxytaxinine J
The XLogP value of 4.9 indicates that 2-Deacetoxytaxinine J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 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 18457-46-0.
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.