Hexestrol dibutyrate
TL;DR: Hexestrol dibutyrate (CAS 36557-18-3) is a chemical compound with molecular formula C26H34O4 and molecular weight 410.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(4-butanoyloxyphenyl)hexan-3-yl]phenyl] butanoate
Also Known As: Hexestrol dibutyrate, hexane-3,4-diyldibenzene-4,1-diyl dibutanoate, (Hexane-3,4-diyl)di(4,1-phenylene) dibutanoate, [4-[4-(4-butanoyloxyphenyl)hexan-3-yl]phenyl] butanoate, Dibutyric acid 1,2-diethylethylenebis(4,1-phenylene) ester
| Molecular Formula | C26H34O4 |
|---|---|
| Molecular Weight | 410.25 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 410.2457 |
| Heavy Atoms | 30 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 36557-18-3 |
|---|---|
| SMILES | CCCC(=O)OC1=CC=C(C=C1)C(CC)C(CC)C2=CC=C(C=C2)OC(=O)CCC |
| InChIKey | JTBPVVVYALFNNO-UHFFFAOYSA-N |
Product Overview
Hexestrol dibutyrate (CAS 36557-18-3), with molecular formula C26H34O4 and molecular weight 410.25 g/mol. IUPAC: [4-[4-(4-butanoyloxyphenyl)hexan-3-yl]phenyl] butanoate.
Chemical Property Profile of Hexestrol dibutyrate
Property Insights of Hexestrol dibutyrate
The XLogP value of 7.0 indicates that Hexestrol dibutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Hexestrol dibutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexestrol dibutyrate 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 Hexestrol dibutyrate?
The CAS number of Hexestrol dibutyrate is 36557-18-3.
What is the molecular formula of Hexestrol dibutyrate?
The molecular formula of Hexestrol dibutyrate is C26H34O4.
What is the molecular weight of Hexestrol dibutyrate?
The molecular weight of Hexestrol dibutyrate is 410.25 g/mol.
Where can I buy Hexestrol dibutyrate?
You can request a quote for Hexestrol dibutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexestrol dibutyrate?
Yes, KEHONG BIO provides custom synthesis services for Hexestrol dibutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.