1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate
TL;DR: 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate (CAS 105344-74-9) is a chemical compound with molecular formula C39H44O3 and molecular weight 560.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate
Also Known As: 1-Pmhbc, OCTAHYDRO-INDOLIZINE-6,7-DIOL, 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate, (3beta,20S)-1-Pyrenylmethyl 3-hydroxypregn-5-ene-20-carboxylate, pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate
| Molecular Formula | C39H44O3 |
|---|---|
| Molecular Weight | 560.33 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 560.32904 |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 105344-74-9 |
|---|---|
| SMILES | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)C(=O)OCC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5 |
| InChIKey | BFDQVXIPKDENNQ-GDCGSMJISA-N |
Product Overview
1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate (CAS 105344-74-9), with molecular formula C39H44O3 and molecular weight 560.33 g/mol. IUPAC: pyren-1-ylmethyl (2S)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate.
Chemical Property Profile of 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate
Property Insights of 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate
The XLogP value of 9.8 indicates that 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate?
The CAS number of 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate is 105344-74-9.
What is the molecular formula of 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate?
The molecular formula of 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate is C39H44O3.
What is the molecular weight of 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate?
The molecular weight of 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate is 560.33 g/mol.
Where can I buy 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate?
You can request a quote for 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrenemethyl-3-hydroxy-22,23-bisnor-5-cholenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.