3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene
TL;DR: 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene (CAS 89418-23-5) is a chemical compound with molecular formula C24H27NO3S2 and molecular weight 441.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,17S)-13-methyl-17-[(4-nitrophenyl)disulfanyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Also Known As: OHNPDTE, 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene, 3-Hydroxy-17beta-(4-nitrophenyldithio)-1,3,5(10)-estratriene, (8R,9S,13S,14S,17S)-13-methyl-17-[(4-nitrophenyl)disulfanyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, 17-[(4-Nitrophenyl)disulfanyl]estra-1(10),2,4-trien-3-ol
| Molecular Formula | C24H27NO3S2 |
|---|---|
| Molecular Weight | 441.14 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.14325 |
| Heavy Atoms | 30 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 89418-23-5 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2SSC4=CC=C(C=C4)[N+](=O)[O-])CCC5=C3C=CC(=C5)O |
| InChIKey | PYCKYYGXDFDCCB-DJCPXJLLSA-N |
Product Overview
3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene (CAS 89418-23-5), with molecular formula C24H27NO3S2 and molecular weight 441.14 g/mol. IUPAC: (8R,9S,13S,14S,17S)-13-methyl-17-[(4-nitrophenyl)disulfanyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene
Property Insights of 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene
The XLogP value of 6.8 indicates that 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene. Following Lipinski's Rule of Five, 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene 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 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene?
The CAS number of 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene is 89418-23-5.
What is the molecular formula of 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene?
The molecular formula of 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene is C24H27NO3S2.
What is the molecular weight of 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene?
The molecular weight of 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene is 441.14 g/mol.
Where can I buy 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene?
You can request a quote for 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-17-(4-nitrophenyldithio)-1,3,5(10)-estratriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.