1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate
TL;DR: 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate (CAS 1173061-75-0) is a chemical compound with molecular formula C51H80O9 and molecular weight 836.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis([(4R,5R,8R,9R,12R,13S,14S,16S,18R)-16-hydroxy-9,13-dimethyl-19-oxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-8-yl] propanoate);methanol
Also Known As: TEADP, 4-nitro-1-propyl-1H-pyrazole, 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate, RefChem:72950
| Molecular Formula | C51H80O9 |
|---|---|
| Molecular Weight | 836.58 g/mol |
| LogP | 8.8551 |
| Topological Polar Surface Area | 131.75 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 836.58026 |
| Heavy Atoms | 60 |
| Complexity | 1597.6903 |
Chemical Identifiers
| CAS Number | 1173061-75-0 |
|---|---|
| SMILES | CCC(=O)O[C@@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@@H]2CCC45[C@]3([C@H]6C[C@@H](O4)C[C@@](C6)(C5)O)C)C.CCC(=O)O[C@@H]1CC[C@H]2[C@]1(CC[C@@H]3[C@@H]2CCC45[C@]3([C@H]6C[C@@H](O4)C[C@@](C6)(C5)O)C)C.CO |
Product Overview
1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate (CAS 1173061-75-0), with molecular formula C51H80O9 and molecular weight 836.58 g/mol. IUPAC: bis([(4R,5R,8R,9R,12R,13S,14S,16S,18R)-16-hydroxy-9,13-dimethyl-19-oxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-8-yl] propanoate);methanol.
Chemical Property Profile of 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate
Property Insights of 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate
The XLogP value of 8.8551 indicates that 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate. Following Lipinski's Rule of Five, 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate?
The CAS number of 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate is 1173061-75-0.
What is the molecular formula of 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate?
The molecular formula of 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate is C51H80O9.
What is the molecular weight of 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate?
The molecular weight of 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate is 836.58 g/mol.
Where can I buy 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate?
You can request a quote for 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Trimethylene-2',5-epoxyandrostane-3,17-diol 17-propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.