2-nor-1,3-seco-1,25-dihydroxyvitamin D3
TL;DR: 2-nor-1,3-seco-1,25-dihydroxyvitamin D3 (CAS 113490-37-2) is a chemical compound with molecular formula C26H44O3 and molecular weight 404.32904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E)-3-[(2E)-2-[(1R,3aR,7aS)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenepentane-1,5-diol
Also Known As: 2-Nor-1,3-seco-1,25-dihydroxyvitamin D3, 2-Nor-1,3-seco-1,25(OH)2 D3, (3E)-3-[(2E)-2-[(1R,3aR,7aS)-1-(6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenepentane-1,5-diol
Technical Specifications
| Molecular Formula | C26H44O3 |
| Molecular Weight | 404.32904 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 404.32904 Da |
| Heavy Atoms | 29 |
| Complexity | 615.0 |
| SMILES | CC(CCCC(C)(C)O)[C@H]1CC[C@H]\2[C@]1(CCC/C2=C\C=C(/CCO)\C(=C)CO)C |
| InChIKey | PDCWVQZLMVLGLG-SHAYHDQHSA-N |
Chemical Property Profile of 2-nor-1,3-seco-1,25-dihydroxyvitamin D3
Property Insights of 2-nor-1,3-seco-1,25-dihydroxyvitamin D3
The XLogP value of 6.1 indicates that 2-nor-1,3-seco-1,25-dihydroxyvitamin D3 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 2-nor-1,3-seco-1,25-dihydroxyvitamin D3. Following Lipinski's Rule of Five, 2-nor-1,3-seco-1,25-dihydroxyvitamin D3 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-nor-1,3-seco-1,25-dihydroxyvitamin D3?
The CAS number of 2-nor-1,3-seco-1,25-dihydroxyvitamin D3 is 113490-37-2.
What is the molecular formula of 2-nor-1,3-seco-1,25-dihydroxyvitamin D3?
The molecular formula of 2-nor-1,3-seco-1,25-dihydroxyvitamin D3 is C26H44O3.
What is the molecular weight of 2-nor-1,3-seco-1,25-dihydroxyvitamin D3?
The molecular weight of 2-nor-1,3-seco-1,25-dihydroxyvitamin D3 is 404.32904 g/mol.
Where can I buy 2-nor-1,3-seco-1,25-dihydroxyvitamin D3?
You can request a quote for 2-nor-1,3-seco-1,25-dihydroxyvitamin D3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-nor-1,3-seco-1,25-dihydroxyvitamin D3?
Yes, CoreyChem provides custom synthesis services for 2-nor-1,3-seco-1,25-dihydroxyvitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.