Taxa-4(20),11(12)-dien-5alpha-yl acetate
TL;DR: Taxa-4(20),11(12)-dien-5alpha-yl acetate (CAS 214628-37-2) is a chemical compound with molecular formula C22H34O2 and molecular weight 330.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate
Also Known As: Taxa-4(20),11(12)-dien-5alpha-yl acetate, Paclitaxel Impurity 104, taxa-4(20),11-dien-5alpha-yl acetate, taxa-4(20),11-dien-5alphayl acetate, taxa-4(20),11-dien-5-alpha-yl acetate
| Molecular Formula | C22H34O2 |
|---|---|
| Molecular Weight | 330.26 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.2559 |
| Heavy Atoms | 24 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 214628-37-2 |
|---|---|
| SMILES | CC1=C2CC[C@@]3(CC[C@@H](C(=C)[C@H]3C[C@@H](C2(C)C)CC1)OC(=O)C)C |
| InChIKey | APIZAZFFQBVSJA-ZJDLJICXSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Taxa-4(20),11(12)-dien-5alpha-yl acetate (CAS 214628-37-2), with molecular formula C22H34O2 and molecular weight 330.26 g/mol. IUPAC: [(1S,3S,5S,8R)-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate.
Chemical Property Profile of Taxa-4(20),11(12)-dien-5alpha-yl acetate
Property Insights of Taxa-4(20),11(12)-dien-5alpha-yl acetate
The XLogP value of 5.0 indicates that Taxa-4(20),11(12)-dien-5alpha-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Taxa-4(20),11(12)-dien-5alpha-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Taxa-4(20),11(12)-dien-5alpha-yl acetate has 0 hydrogen bond donor(s) and 2 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 Taxa-4(20),11(12)-dien-5alpha-yl acetate?
The CAS number of Taxa-4(20),11(12)-dien-5alpha-yl acetate is 214628-37-2.
What is the molecular formula of Taxa-4(20),11(12)-dien-5alpha-yl acetate?
The molecular formula of Taxa-4(20),11(12)-dien-5alpha-yl acetate is C22H34O2.
What is the molecular weight of Taxa-4(20),11(12)-dien-5alpha-yl acetate?
The molecular weight of Taxa-4(20),11(12)-dien-5alpha-yl acetate is 330.26 g/mol.
Where can I buy Taxa-4(20),11(12)-dien-5alpha-yl acetate?
You can request a quote for Taxa-4(20),11(12)-dien-5alpha-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Taxa-4(20),11(12)-dien-5alpha-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for Taxa-4(20),11(12)-dien-5alpha-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.