Ptaquilosin
TL;DR: Ptaquilosin (CAS 124818-28-6) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3aR,7S,7aS)-3a,7-dihydroxy-2,5,7-trimethylspiro[3,7a-dihydro-2H-indene-6,1'-cyclopropane]-1-one
Also Known As: Ptaquilosin, N-(4-Iodophenyl)pregnenolone 3-carbamate, 1',3'a,4',7'a-Tetrahydro-4',7'a-dihydroxy-2',4',6'-trimethylspiro(cyclopropane-1,5'-(5H)inden)-3'(2'H)-one (2'R-(2'alpha,3'aalpha,4'beta,7'aalpha))-, Spiro(cyclopropane-1,5'-(5H)inden)-3'(2'H)-one, 1',3'a,4',7'a-tetrahydro-4',7'a-dihydroxy-2',4',6'-trimethyl-, (2'R-(2'alpha,3'aalpha,4'beta,7'aalpha))-, (2 R)-1 ,3 abeta,4 ,7 a-Tetrahydro-4 alpha,7 abeta-dihydroxy-2 beta,4 ,6 -trimethylspiro[cyclopropane-1,5 -[5H]inden]-3 (2 H)-one
Technical Specifications
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.14125 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 236.14125 Da |
| Heavy Atoms | 17 |
| Complexity | 435.0 |
| SMILES | C[C@@H]1C[C@]2(C=C(C3(CC3)[C@@]([C@H]2C1=O)(C)O)C)O |
| InChIKey | HDWVDSGSKCEKMA-PKINLEFWSA-N |
Chemical Property Profile of Ptaquilosin
Property Insights of Ptaquilosin
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ptaquilosin. With a topological polar surface area (TPSA) of 57.5 Ų, Ptaquilosin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ptaquilosin has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ptaquilosin?
The CAS number of Ptaquilosin is 124818-28-6.
What is the molecular formula of Ptaquilosin?
The molecular formula of Ptaquilosin is C14H20O3.
What is the molecular weight of Ptaquilosin?
The molecular weight of Ptaquilosin is 236.14125 g/mol.
Where can I buy Ptaquilosin?
You can request a quote for Ptaquilosin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ptaquilosin?
Yes, CoreyChem provides custom synthesis services for Ptaquilosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.