秦哚昔芬
TL;DR: 秦哚昔芬 (CAS 86111-26-4) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
秦哚昔芬
[4-(5-acetyloxy-1-ethyl-3-methylindol-2-yl)phenyl] acetate
Also Known As: Zindoxifene, Zindoxifeno, Zindoxifenum, Zindoxifene [INN], Zindoxifenum [Latin]
| Molecular Formula | C21H21NO4 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.14706 |
| Heavy Atoms | 26 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 86111-26-4 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)OC(=O)C)C(=C1C3=CC=C(C=C3)OC(=O)C)C |
| InChIKey | KSZGVNZSUJHOJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
秦哚昔芬 (CAS 86111-26-4), with molecular formula C21H21NO4 and molecular weight 351.15 g/mol. IUPAC: [4-(5-acetyloxy-1-ethyl-3-methylindol-2-yl)phenyl] acetate.
Chemical Property Profile of 秦哚昔芬
Property Insights of 秦哚昔芬
The XLogP value of 3.8 indicates that 秦哚昔芬 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 秦哚昔芬 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 秦哚昔芬 has 0 hydrogen bond donor(s) and 4 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 秦哚昔芬?
The CAS number of 秦哚昔芬 is 86111-26-4.
What is the molecular formula of 秦哚昔芬?
The molecular formula of 秦哚昔芬 is C21H21NO4.
What is the molecular weight of 秦哚昔芬?
The molecular weight of 秦哚昔芬 is 351.15 g/mol.
Where can I buy 秦哚昔芬?
You can request a quote for 秦哚昔芬 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 秦哚昔芬?
Yes, KEHONG BIO provides custom synthesis services for 秦哚昔芬 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.