SECALCIFEROL
TL;DR: SECALCIFEROL (CAS 40013-87-4) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.32904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[4-[2-(5-hydroxy-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,3-diol
Also Known As: SECALCIFEROL, Secalciferol-d6, 24, 25-Dihydroxy VD3, 24(R),25-Dihydroxyvitamin D3, 24,25-Dihydroxycholecalciferol
Technical Specifications
| Molecular Formula | C27H44O3 |
| Molecular Weight | 416.32904 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.32904 Da |
| Heavy Atoms | 30 |
| Complexity | 688.0 |
| SMILES | CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C |
| InChIKey | FCKJYANJHNLEEP-UHFFFAOYSA-N |
Product Description
Applications: SECALCIFEROL is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies SECALCIFEROL (CAS 40013-87-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, SECALCIFEROL (CAS 40013-87-4) has the molecular formula C27H44O3 and a molecular weight of 416.33 g/mol. It is also known as SECALCIFEROL and Secalciferol-d6.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of SECALCIFEROL
Property Insights of SECALCIFEROL
The XLogP value of 5.0 indicates that SECALCIFEROL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for SECALCIFEROL. Following Lipinski's Rule of Five, SECALCIFEROL has 3 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 SECALCIFEROL?
The CAS number of SECALCIFEROL is 40013-87-4.
What is the molecular formula of SECALCIFEROL?
The molecular formula of SECALCIFEROL is C27H44O3.
What is the molecular weight of SECALCIFEROL?
The molecular weight of SECALCIFEROL is 416.32904 g/mol.
What are the applications of SECALCIFEROL?
SECALCIFEROL is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies SECALCIFEROL (CAS 40013-87-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy SECALCIFEROL?
You can request a quote for SECALCIFEROL directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for SECALCIFEROL?
Yes, CoreyChem provides custom synthesis services for SECALCIFEROL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.