3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate
TL;DR: 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate (CAS 2119-85-9) is a chemical compound with molecular formula C22H32O6S and molecular weight 424.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-ethoxysulfonylacetate
Also Known As: KST-1A2671, 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate, (17, A)-3-oxoestr-4-en-17-yl(ethoxysulfonyl)acetate, 3-Oxoestr-4-en-17beta-yl (ethoxysulfonyl)acetate
| Molecular Formula | C22H32O6S |
|---|---|
| Molecular Weight | 424.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.19196 |
| Heavy Atoms | 29 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 2119-85-9 |
|---|---|
| SMILES | CCOS(=O)(=O)CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C |
| InChIKey | XRKNWTZSYZQKIU-LICMUICMSA-N |
Product Overview
3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate (CAS 2119-85-9), with molecular formula C22H32O6S and molecular weight 424.19 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] 2-ethoxysulfonylacetate.
Chemical Property Profile of 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate
Property Insights of 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate
The XLogP value of 3.0 indicates that 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate. Following Lipinski's Rule of Five, 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate has 0 hydrogen bond donor(s) and 6 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-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate?
The CAS number of 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate is 2119-85-9.
What is the molecular formula of 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate?
The molecular formula of 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate is C22H32O6S.
What is the molecular weight of 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate?
The molecular weight of 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate is 424.19 g/mol.
Where can I buy 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate?
You can request a quote for 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxoestr-4-en-17-yl (ethoxysulfonyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.