Estrone-3-methylthiophosphonate
TL;DR: Estrone-3-methylthiophosphonate (CAS 71142-69-3) is a chemical compound with molecular formula C19H25O3PS and molecular weight 364.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-3-[hydroxy(methyl)phosphinothioyl]oxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: Estrone-3-methylthiophosphonate, E1-3-Mtp, Estrone 3-methylthiophosphonate, 3-(Methylhydroxythioxophosphoranyloxy)-3-deoxyestrone, (8R,9S,13S,14S)-3-[hydroxy(methyl)phosphinothioyl]oxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C19H25O3PS |
|---|---|
| Molecular Weight | 364.13 g/mol |
| LogP | 4.4222 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.1262 |
| Heavy Atoms | 24 |
| Complexity | 740.1275 |
Chemical Identifiers
| CAS Number | 71142-69-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OP(=S)(C)O |
Product Overview
Estrone-3-methylthiophosphonate (CAS 71142-69-3), with molecular formula C19H25O3PS and molecular weight 364.13 g/mol. IUPAC: (8R,9S,13S,14S)-3-[hydroxy(methyl)phosphinothioyl]oxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of Estrone-3-methylthiophosphonate
Property Insights of Estrone-3-methylthiophosphonate
The XLogP value of 4.4222 indicates that Estrone-3-methylthiophosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Estrone-3-methylthiophosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estrone-3-methylthiophosphonate has 1 hydrogen bond donor(s) and 3 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 Estrone-3-methylthiophosphonate?
The CAS number of Estrone-3-methylthiophosphonate is 71142-69-3.
What is the molecular formula of Estrone-3-methylthiophosphonate?
The molecular formula of Estrone-3-methylthiophosphonate is C19H25O3PS.
What is the molecular weight of Estrone-3-methylthiophosphonate?
The molecular weight of Estrone-3-methylthiophosphonate is 364.13 g/mol.
Where can I buy Estrone-3-methylthiophosphonate?
You can request a quote for Estrone-3-methylthiophosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estrone-3-methylthiophosphonate?
Yes, KEHONG BIO provides custom synthesis services for Estrone-3-methylthiophosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.