己烷雌酚二醋酸酯
TL;DR: 己烷雌酚二醋酸酯 (CAS 4547-76-6) is a chemical compound with molecular formula C22H26O4 and molecular weight 354.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己烷雌酚二醋酸酯
[4-[(3S,4R)-4-(4-acetyloxyphenyl)hexan-3-yl]phenyl] acetate
Also Known As: Hexestrol diacetate, Diacetylhexestrol, Hexestroldiacetat, Hexestrol diacetate (JAN), HEXESTROL DIACETATE [MI]
| Molecular Formula | C22H26O4 |
|---|---|
| Molecular Weight | 354.18 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.1831 |
| Heavy Atoms | 26 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 4547-76-6 |
|---|---|
| SMILES | CC[C@H](C1=CC=C(C=C1)OC(=O)C)[C@@H](CC)C2=CC=C(C=C2)OC(=O)C |
| InChIKey | GWEREDCWIUZACS-SZPZYZBQSA-N |
Product Overview
己烷雌酚二醋酸酯 (CAS 4547-76-6), with molecular formula C22H26O4 and molecular weight 354.18 g/mol. IUPAC: [4-[(3S,4R)-4-(4-acetyloxyphenyl)hexan-3-yl]phenyl] acetate.
Chemical Property Profile of 己烷雌酚二醋酸酯
Property Insights of 己烷雌酚二醋酸酯
The XLogP value of 5.4 indicates that 己烷雌酚二醋酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 己烷雌酚二醋酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己烷雌酚二醋酸酯 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 己烷雌酚二醋酸酯?
The CAS number of 己烷雌酚二醋酸酯 is 4547-76-6.
What is the molecular formula of 己烷雌酚二醋酸酯?
The molecular formula of 己烷雌酚二醋酸酯 is C22H26O4.
What is the molecular weight of 己烷雌酚二醋酸酯?
The molecular weight of 己烷雌酚二醋酸酯 is 354.18 g/mol.
Where can I buy 己烷雌酚二醋酸酯?
You can request a quote for 己烷雌酚二醋酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己烷雌酚二醋酸酯?
Yes, KEHONG BIO provides custom synthesis services for 己烷雌酚二醋酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.