26,27-Dimethylcalcifediol
TL;DR: 26,27-Dimethylcalcifediol (CAS 116925-40-7) is a chemical compound with molecular formula C29H48O2 and molecular weight 428.36542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol
Also Known As: 26,27-Dimethylcalcifediol, 25-Hydroxy-26,27-dimethylvitamin D3, 25-Hydroxy-26,27-dimethylcholecalciferol, (1S)-5-[(Z)-2-[(1R,3aR,7aS)-2-ethyl-1-[(5S)-5-hydroxyheptyl]-4,7a-dimethyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-yl]ethenyl]-4-methylcyclohexa-2,4-dien-1-ol, 1H-Indene-1-Pentanol, alpha,alpha-diethyl-2,3,3a,6,7,7a-hexahydro-4-(2-(5-hydroxy-2-methyl-1-cyclohexen-1-yl)ethenyl)-epsilon,7a-dimethyl-, (1R-(1alpha(R*),3abeta,4(Z(S*)),7aalpha))-
Technical Specifications
| Molecular Formula | C29H48O2 |
| Molecular Weight | 428.36542 g/mol |
| XLogP | 8.1 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.36542 Da |
| Heavy Atoms | 31 |
| Complexity | 689.0 |
| SMILES | CCC1C[C@H]2[C@]([C@@H]1CCCC[C@H](CC)O)(CCCC2(C)/C=C\C3=C(C=C[C@H](C3)O)C)C |
| InChIKey | PYGGFMISRIMKTA-IBSHMIGKSA-N |
Chemical Property Profile of 26,27-Dimethylcalcifediol
Property Insights of 26,27-Dimethylcalcifediol
The XLogP value of 8.1 indicates that 26,27-Dimethylcalcifediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 26,27-Dimethylcalcifediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 26,27-Dimethylcalcifediol 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 26,27-Dimethylcalcifediol?
The CAS number of 26,27-Dimethylcalcifediol is 116925-40-7.
What is the molecular formula of 26,27-Dimethylcalcifediol?
The molecular formula of 26,27-Dimethylcalcifediol is C29H48O2.
What is the molecular weight of 26,27-Dimethylcalcifediol?
The molecular weight of 26,27-Dimethylcalcifediol is 428.36542 g/mol.
Where can I buy 26,27-Dimethylcalcifediol?
You can request a quote for 26,27-Dimethylcalcifediol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 26,27-Dimethylcalcifediol?
Yes, CoreyChem provides custom synthesis services for 26,27-Dimethylcalcifediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.