依曲替酯
TL;DR: 依曲替酯 (CAS 54350-48-0) is a chemical compound with molecular formula C23H30O3 and molecular weight 354.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依曲替酯
ethyl 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate
Also Known As: etretinate, phenytoin, Tegison, Tigason, Etretinate-d3
| Molecular Formula | C23H30O3 |
|---|---|
| Molecular Weight | 354.22 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.21948 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 54350-48-0 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C(=C(C=C1C)OC)C)C |
| InChIKey | HQMNCQVAMBCHCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依曲替酯 (CAS 54350-48-0), with molecular formula C23H30O3 and molecular weight 354.22 g/mol. IUPAC: ethyl 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoate.
Chemical Property Profile of 依曲替酯
Property Insights of 依曲替酯
The XLogP value of 6.8 indicates that 依曲替酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 依曲替酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 依曲替酯 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 依曲替酯?
The CAS number of 依曲替酯 is 54350-48-0.
What is the molecular formula of 依曲替酯?
The molecular formula of 依曲替酯 is C23H30O3.
What is the molecular weight of 依曲替酯?
The molecular weight of 依曲替酯 is 354.22 g/mol.
Where can I buy 依曲替酯?
You can request a quote for 依曲替酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依曲替酯?
Yes, KEHONG BIO provides custom synthesis services for 依曲替酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.