3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate
TL;DR: 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate (CAS 6345-23-9) 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.
(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, 3-hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate, (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) 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 | 6345-23-9 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)O |
| InChIKey | BBWXLCKRYRQQPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate (CAS 6345-23-9), with molecular formula C18H25O5P and molecular weight 352.14 g/mol. IUPAC: (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 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate
Property Insights of 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate. Following Lipinski's Rule of Five, 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate 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 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate?
The CAS number of 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate is 6345-23-9.
What is the molecular formula of 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate?
The molecular formula of 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate is C18H25O5P.
What is the molecular weight of 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate?
The molecular weight of 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate is 352.14 g/mol.
Where can I buy 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate?
You can request a quote for 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyestra-1,3,5(10)-trien-17-yl dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.