4-Acetoxy Tamoxifen
TL;DR: 4-Acetoxy Tamoxifen (CAS 76117-70-9) is a chemical compound with molecular formula C28H31NO3 and molecular weight 429.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] acetate
Also Known As: 4-Acetoxy Tamoxifen, (E)-4-Acetoxy Tamoxifen, [4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] acetate, [4-[1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenyl-but-1-enyl]phenyl] Acetate, [4-[1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]phenyl] acetate
| Molecular Formula | C28H31NO3 |
|---|---|
| Molecular Weight | 429.23 g/mol |
| LogP | 5.9214 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.2304 |
| Heavy Atoms | 32 |
| Complexity | 1036.3003 |
Chemical Identifiers
| CAS Number | 76117-70-9 |
|---|---|
| SMILES | CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC=C(C=C2)OC(=O)C)C3=CC=CC=C3 |
Product Overview
4-Acetoxy Tamoxifen (CAS 76117-70-9), with molecular formula C28H31NO3 and molecular weight 429.23 g/mol. IUPAC: [4-[1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] acetate.
Chemical Property Profile of 4-Acetoxy Tamoxifen
Property Insights of 4-Acetoxy Tamoxifen
The XLogP value of 5.9214 indicates that 4-Acetoxy Tamoxifen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, 4-Acetoxy Tamoxifen exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetoxy Tamoxifen has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Acetoxy Tamoxifen?
The CAS number of 4-Acetoxy Tamoxifen is 76117-70-9.
What is the molecular formula of 4-Acetoxy Tamoxifen?
The molecular formula of 4-Acetoxy Tamoxifen is C28H31NO3.
What is the molecular weight of 4-Acetoxy Tamoxifen?
The molecular weight of 4-Acetoxy Tamoxifen is 429.23 g/mol.
Where can I buy 4-Acetoxy Tamoxifen?
You can request a quote for 4-Acetoxy Tamoxifen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetoxy Tamoxifen?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetoxy Tamoxifen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.