(5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol
TL;DR: (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol (CAS 139131-74-1) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cis-(1R,3R,5E)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: alfacalcidol, Calcitriol Impurity 10, Alfacalcidol Impurity 22, 1BETA-HYDROXY VITAMIN D3, (1R,3R,E)-5-(2-((1R,3aS,7aR,E)-7a-Methyl-1-((R)-6-methylheptan-2-yl)octahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol
Technical Specifications
| Molecular Formula | C27H44O2 |
| Molecular Weight | 400.33414 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.33414 Da |
| Heavy Atoms | 29 |
| Complexity | 643.0 |
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](C[C@H](C3=C)O)O)C |
| InChIKey | OFHCOWSQAMBJIW-SJPBCETESA-N |
Chemical Property Profile of (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol
Property Insights of (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol
The XLogP value of 6.8 indicates that (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol?
The CAS number of (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol is 139131-74-1.
What is the molecular formula of (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol?
The molecular formula of (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol is C27H44O2.
What is the molecular weight of (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol?
The molecular weight of (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol is 400.33414 g/mol.
Where can I buy (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol?
You can request a quote for (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol?
Yes, CoreyChem provides custom synthesis services for (5E)-1beta-hydroxyvitamin D3/(5E)-1beta-hydroxycholecalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.