17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1)
TL;DR: 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1) (CAS 29080-16-8) is a chemical compound with molecular formula C22H32N2O5S and molecular weight 436.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;piperazine
Also Known As: Estropipate, Harmogen, Sulestrex, Ogen, Ortho-Est
| Molecular Formula | C22H32N2O5S |
|---|---|
| Molecular Weight | 436.20 g/mol |
| LogP | 2.47 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 436.2032 |
| Heavy Atoms | 30 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 29080-16-8 |
|---|---|
| SMILES | CC12CC[C@H]3C([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1 |
| InChIKey | HZEQBCVBILBTEP-GWKMLMIWSA-N |
Product Overview
17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1) (CAS 29080-16-8), with molecular formula C22H32N2O5S and molecular weight 436.20 g/mol. IUPAC: [(9S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;piperazine.
Chemical Property Profile of 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1)
Property Insights of 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1)
The XLogP value of 2.47 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1). The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1). Following Lipinski's Rule of Five, 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1) has 3 hydrogen bond donor(s) and 7 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 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1)?
The CAS number of 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1) is 29080-16-8.
What is the molecular formula of 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1)?
The molecular formula of 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1) is C22H32N2O5S.
What is the molecular weight of 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1)?
The molecular weight of 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1) is 436.20 g/mol.
Where can I buy 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1)?
You can request a quote for 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen sulfate--piperazine (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.