己二烯雌酚
TL;DR: 己二烯雌酚 (CAS 84-17-3) is a chemical compound with molecular formula C18H18O2 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己二烯雌酚
4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol
Also Known As: dienestrol, Isodienestrol, Oestrodienol, Cycladiene, Dienoestrol
| Molecular Formula | C18H18O2 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.13068 |
| Heavy Atoms | 20 |
| Complexity | 318.0 |
| Melting Point | 227.5 °C |
| Solubility | 1.23e-02 g/L |
Chemical Identifiers
| CAS Number | 84-17-3 |
|---|---|
| SMILES | CC=C(C1=CC=C(C=C1)O)C(=CC)C2=CC=C(C=C2)O |
| InChIKey | NFDFQCUYFHCNBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己二烯雌酚 (CAS 84-17-3), with molecular formula C18H18O2 and molecular weight 266.13 g/mol. IUPAC: 4-[4-(4-hydroxyphenyl)hexa-2,4-dien-3-yl]phenol.
Chemical Property Profile of 己二烯雌酚
Property Insights of 己二烯雌酚
The XLogP value of 5.4 indicates that 己二烯雌酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 己二烯雌酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己二烯雌酚 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 己二烯雌酚?
The CAS number of 己二烯雌酚 is 84-17-3.
What is the molecular formula of 己二烯雌酚?
The molecular formula of 己二烯雌酚 is C18H18O2.
What is the molecular weight of 己二烯雌酚?
The molecular weight of 己二烯雌酚 is 266.13 g/mol.
Where can I buy 己二烯雌酚?
You can request a quote for 己二烯雌酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己二烯雌酚?
Yes, KEHONG BIO provides custom synthesis services for 己二烯雌酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.