![Calcipotriol, anhydrous impurity A [EP] structure](/static/products/126/126860-83-1.webp)
Calcipotriol, anhydrous impurity A [EP]
TL;DR: Calcipotriol, anhydrous impurity A [EP] (CAS 126860-83-1) is a chemical compound with molecular formula C27H38O3 and molecular weight 410.2821 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-one
Also Known As: Calcipotriol EP Impurity A, MC 1046, Calcipotriol, anhydrous impurity A [EP], 3804AH, Calcipotriol, anhydrous specified impurity A [EP]
Technical Specifications
| Molecular Formula | C27H38O3 |
| Molecular Weight | 410.2821 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.2821 Da |
| Heavy Atoms | 30 |
| Complexity | 784.0 |
| SMILES | C[C@H](/C=C/C(=O)C1CC1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C |
| InChIKey | KKDBQSPKXAUHPH-NRCQPIEOSA-N |
Chemical Property Profile of Calcipotriol, anhydrous impurity A [EP]
Property Insights of Calcipotriol, anhydrous impurity A [EP]
The XLogP value of 4.3 indicates that Calcipotriol, anhydrous impurity A [EP] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Calcipotriol, anhydrous impurity A [EP] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Calcipotriol, anhydrous impurity A [EP] 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 Calcipotriol, anhydrous impurity A [EP]?
The CAS number of Calcipotriol, anhydrous impurity A [EP] is 126860-83-1.
What is the molecular formula of Calcipotriol, anhydrous impurity A [EP]?
The molecular formula of Calcipotriol, anhydrous impurity A [EP] is C27H38O3.
What is the molecular weight of Calcipotriol, anhydrous impurity A [EP]?
The molecular weight of Calcipotriol, anhydrous impurity A [EP] is 410.2821 g/mol.
Where can I buy Calcipotriol, anhydrous impurity A [EP]?
You can request a quote for Calcipotriol, anhydrous impurity A [EP] directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Calcipotriol, anhydrous impurity A [EP]?
Yes, CoreyChem provides custom synthesis services for Calcipotriol, anhydrous impurity A [EP] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.