雌二醇磷酸酯
TL;DR: 雌二醇磷酸酯 (CAS 4995-43-1) is a chemical compound with molecular formula C18H25O5P and molecular weight 352.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雌二醇磷酸酯
[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] dihydrogen phosphate
Also Known As: Estradiol phosphate, Polyestradiol phosphate, Estradiol 17-phosphate, Tox21_110018, Estradiol, 17-(dihydrogen phosphate)
| Molecular Formula | C18H25O5P |
|---|---|
| Molecular Weight | 352.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 352.14395 |
| Heavy Atoms | 24 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 4995-43-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | BBWXLCKRYRQQPL-ZBRFXRBCSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
雌二醇磷酸酯 (CAS 4995-43-1), with molecular formula C18H25O5P and molecular weight 352.14 g/mol. IUPAC: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] dihydrogen phosphate.
Chemical Property Profile of 雌二醇磷酸酯
Property Insights of 雌二醇磷酸酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 雌二醇磷酸酯. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 雌二醇磷酸酯. Following Lipinski's Rule of Five, 雌二醇磷酸酯 has 3 hydrogen bond donor(s) and 5 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 雌二醇磷酸酯?
The CAS number of 雌二醇磷酸酯 is 4995-43-1.
What is the molecular formula of 雌二醇磷酸酯?
The molecular formula of 雌二醇磷酸酯 is C18H25O5P.
What is the molecular weight of 雌二醇磷酸酯?
The molecular weight of 雌二醇磷酸酯 is 352.14 g/mol.
Where can I buy 雌二醇磷酸酯?
You can request a quote for 雌二醇磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 雌二醇磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 雌二醇磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.