11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate
TL;DR: 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate (CAS 110558-70-8) is a chemical compound with molecular formula C28H34O7S and molecular weight 514.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-methylbenzenesulfonate
Also Known As: 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate, [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-methylbenzenesulfonate
| Molecular Formula | C28H34O7S |
|---|---|
| Molecular Weight | 514.20 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 514.2025 |
| Heavy Atoms | 36 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 110558-70-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)[C@]2(CC[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)O |
| InChIKey | FSNQLTUPZVVUQE-BEQUJODCSA-N |
Product Overview
11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate (CAS 110558-70-8), with molecular formula C28H34O7S and molecular weight 514.20 g/mol. IUPAC: [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-methylbenzenesulfonate.
Chemical Property Profile of 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate
Property Insights of 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate
The XLogP value of 3.1 indicates that 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate. Following Lipinski's Rule of Five, 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate?
The CAS number of 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate is 110558-70-8.
What is the molecular formula of 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate?
The molecular formula of 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate is C28H34O7S.
What is the molecular weight of 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate?
The molecular weight of 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate is 514.20 g/mol.
Where can I buy 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate?
You can request a quote for 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 11?,17,21-Trihydroxy-pregna-1,4-diene-3,20-dione 21-p-Toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.