1-alpha,25-Dihydroxycholecalciferol
TL;DR: 1-alpha,25-Dihydroxycholecalciferol (CAS 59783-84-5) is a chemical compound with molecular formula C27H44O3 and molecular weight 416.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3S,5Z)-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-1,2,3-triol
Also Known As: 1-alpha,25-Dihydroxycholecalciferol, 1-Pentadecanol, dihydrogen phosphate, 9,10-Secocholesta-5,7,10(19)-triene-1,2,3-triol, (1alpha,2alpha,3beta,5Z,7E)-, (1S,2R,3S,5Z)-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-1,2,3-triol, RefChem:429125
| Molecular Formula | C27H44O3 |
|---|---|
| Molecular Weight | 416.33 g/mol |
| LogP | 5.5606 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.32904 |
| Heavy Atoms | 30 |
| Complexity | 675.59564 |
Chemical Identifiers
| CAS Number | 59783-84-5 |
|---|---|
| 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@H]([C@H](C3=C)O)O)O)C |
Product Overview
1-alpha,25-Dihydroxycholecalciferol (CAS 59783-84-5), with molecular formula C27H44O3 and molecular weight 416.33 g/mol. IUPAC: (1S,2R,3S,5Z)-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-1,2,3-triol.
Chemical Property Profile of 1-alpha,25-Dihydroxycholecalciferol
Property Insights of 1-alpha,25-Dihydroxycholecalciferol
The XLogP value of 5.5606 indicates that 1-alpha,25-Dihydroxycholecalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-alpha,25-Dihydroxycholecalciferol. Following Lipinski's Rule of Five, 1-alpha,25-Dihydroxycholecalciferol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-alpha,25-Dihydroxycholecalciferol?
The CAS number of 1-alpha,25-Dihydroxycholecalciferol is 59783-84-5.
What is the molecular formula of 1-alpha,25-Dihydroxycholecalciferol?
The molecular formula of 1-alpha,25-Dihydroxycholecalciferol is C27H44O3.
What is the molecular weight of 1-alpha,25-Dihydroxycholecalciferol?
The molecular weight of 1-alpha,25-Dihydroxycholecalciferol is 416.33 g/mol.
Where can I buy 1-alpha,25-Dihydroxycholecalciferol?
You can request a quote for 1-alpha,25-Dihydroxycholecalciferol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-alpha,25-Dihydroxycholecalciferol?
Yes, KEHONG BIO provides custom synthesis services for 1-alpha,25-Dihydroxycholecalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.