![2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate structure](/static/products/1639/16397-00-5.webp)
2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate
TL;DR: 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate (CAS 16397-00-5) is a chemical compound with molecular formula C28H36O5S and molecular weight 484.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate
Also Known As: 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate, 17-Hydroxy-3-methoxy-19-norpregna-1,3,5(10)-trien-21-yl 4-methylbenzene-1-sulfonate, (17.ALPHA.)-3-METHOXY-19-NORPREGNA-1,5(10)-TRIENE-17,21-DIOL, 21-(4-METHYLBENZENESULFONATE)
| Molecular Formula | C28H36O5S |
|---|---|
| Molecular Weight | 484.23 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 484.22833 |
| Heavy Atoms | 34 |
| Complexity | 815.0 |
Chemical Identifiers
| CAS Number | 16397-00-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CCC3C2(CCC4C3CCC5=C4C=CC(=C5)OC)C)O |
| InChIKey | XVXIPKFQBDIFIW-UHFFFAOYSA-N |
Product Overview
2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate (CAS 16397-00-5), with molecular formula C28H36O5S and molecular weight 484.23 g/mol. IUPAC: 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate
Property Insights of 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate
The XLogP value of 5.8 indicates that 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate?
The CAS number of 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate is 16397-00-5.
What is the molecular formula of 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate?
The molecular formula of 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate is C28H36O5S.
What is the molecular weight of 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate?
The molecular weight of 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate is 484.23 g/mol.
Where can I buy 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate?
You can request a quote for 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)ethyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.