trans-Dimethylstilbestrol diacetate
TL;DR: trans-Dimethylstilbestrol diacetate (CAS 70244-12-1) is a chemical compound with molecular formula C20H20O4 and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-(4-acetyloxyphenyl)but-2-en-2-yl]phenyl] acetate
Also Known As: trans-Dms-diacetate, trans-Dimethylstilbestrol diacetate, trans-Dimethylstilboestrol diacetate, 4,4'-Stilbenediol, alpha,alpha'-dimethyl-, diacetate (ester), (E)-, (E)-alpha,beta-Dimethyl-4,4 -stilbenediol diacetate
| Molecular Formula | C20H20O4 |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 4.4878 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.13617 |
| Heavy Atoms | 24 |
| Complexity | 700.7911 |
Chemical Identifiers
| CAS Number | 70244-12-1 |
|---|---|
| SMILES | C/C(=C(/C)\C1=CC=C(C=C1)OC(=O)C)/C2=CC=C(C=C2)OC(=O)C |
Product Overview
trans-Dimethylstilbestrol diacetate (CAS 70244-12-1), with molecular formula C20H20O4 and molecular weight 324.14 g/mol. IUPAC: [4-[(E)-3-(4-acetyloxyphenyl)but-2-en-2-yl]phenyl] acetate.
Chemical Property Profile of trans-Dimethylstilbestrol diacetate
Property Insights of trans-Dimethylstilbestrol diacetate
The XLogP value of 4.4878 indicates that trans-Dimethylstilbestrol diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, trans-Dimethylstilbestrol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Dimethylstilbestrol diacetate 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 trans-Dimethylstilbestrol diacetate?
The CAS number of trans-Dimethylstilbestrol diacetate is 70244-12-1.
What is the molecular formula of trans-Dimethylstilbestrol diacetate?
The molecular formula of trans-Dimethylstilbestrol diacetate is C20H20O4.
What is the molecular weight of trans-Dimethylstilbestrol diacetate?
The molecular weight of trans-Dimethylstilbestrol diacetate is 324.14 g/mol.
Where can I buy trans-Dimethylstilbestrol diacetate?
You can request a quote for trans-Dimethylstilbestrol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Dimethylstilbestrol diacetate?
Yes, KEHONG BIO provides custom synthesis services for trans-Dimethylstilbestrol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.