3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one
TL;DR: 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one (CAS 80082-67-3) is a chemical compound with molecular formula C21H27NO5 and molecular weight 373.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S)-3-(3-hydroxypropoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one, (8R,9S,13S,14S)-3-(3-hydroxypropoxy)-13-methyl-4-nitro-7,8,9, (8R,9S,13S,14S)-3-(3-hydroxypropoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C21H27NO5 |
|---|---|
| Molecular Weight | 373.19 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.18893 |
| Heavy Atoms | 27 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 80082-67-3 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4[N+](=O)[O-])OCCCO |
| InChIKey | UROCJSOQPSTRCB-WYSJICDVSA-N |
Product Overview
3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one (CAS 80082-67-3), with molecular formula C21H27NO5 and molecular weight 373.19 g/mol. IUPAC: (8R,9S,13S,14S)-3-(3-hydroxypropoxy)-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
Chemical Property Profile of 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one
Property Insights of 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one
The XLogP value of 3.0 indicates that 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one. Following Lipinski's Rule of Five, 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one has 1 hydrogen bond donor(s) and 5 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-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one?
The CAS number of 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one is 80082-67-3.
What is the molecular formula of 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one?
The molecular formula of 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one is C21H27NO5.
What is the molecular weight of 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one?
The molecular weight of 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one is 373.19 g/mol.
Where can I buy 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one?
You can request a quote for 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Hydroxypropoxy)-4-nitroestra-1,3,5(10)-trien-17-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.