4-Mercuriestradiol
TL;DR: 4-Mercuriestradiol (CAS 33499-71-7) is a chemical compound with molecular formula C18H23HgO2 and molecular weight 473.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-yl]mercury
Also Known As: 4-Mercuriestradiol, 4-Mercuri-17beta-estradiol, KST-1A4027, [(13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-yl]mercury, [(8xi,9xi,14xi,17
| Molecular Formula | C18H23HgO2 |
|---|---|
| Molecular Weight | 473.14 g/mol |
| LogP | 2.78 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 473.14044 |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 33499-71-7 |
|---|---|
| SMILES | C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C3C=CC(=C4[Hg])O |
| InChIKey | JBEIUOYSOWHLNZ-PXOUBOTESA-N |
Product Overview
4-Mercuriestradiol (CAS 33499-71-7), with molecular formula C18H23HgO2 and molecular weight 473.14 g/mol. IUPAC: [(13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-yl]mercury.
Chemical Property Profile of 4-Mercuriestradiol
Property Insights of 4-Mercuriestradiol
The XLogP value of 2.78 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Mercuriestradiol. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Mercuriestradiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Mercuriestradiol has 2 hydrogen bond donor(s) and 2 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 4-Mercuriestradiol?
The CAS number of 4-Mercuriestradiol is 33499-71-7.
What is the molecular formula of 4-Mercuriestradiol?
The molecular formula of 4-Mercuriestradiol is C18H23HgO2.
What is the molecular weight of 4-Mercuriestradiol?
The molecular weight of 4-Mercuriestradiol is 473.14 g/mol.
Where can I buy 4-Mercuriestradiol?
You can request a quote for 4-Mercuriestradiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Mercuriestradiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Mercuriestradiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.