1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3
TL;DR: 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3 (CAS 134508-36-4) is a chemical compound with molecular formula C29H46O3 and molecular weight 442.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-ethyl-6-hydroxyoct-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: 1,25-Dde-D3, 1,25-Dihydroxy-26,27-dihomo-22-ene-cholecalciferol, 1,25-Dihydroxy-26,27-dihomo-22-ene-vitamin D3, (5Z,7E,22E)-(1S,3R)-26,27-dimethyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol, (22E)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydrovitamin D3 / (22E)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydrocholecalciferol
| Molecular Formula | C29H46O3 |
|---|---|
| Molecular Weight | 442.34 g/mol |
| LogP | 6.2609 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.3447 |
| Heavy Atoms | 32 |
| Complexity | 756.36365 |
Chemical Identifiers
| CAS Number | 134508-36-4 |
|---|---|
| SMILES | CCC(CC)(C/C=C/[C@@H](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)O |
Product Overview
1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3 (CAS 134508-36-4), with molecular formula C29H46O3 and molecular weight 442.34 g/mol. IUPAC: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-ethyl-6-hydroxyoct-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3
Property Insights of 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3
The XLogP value of 6.2609 indicates that 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3 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 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3. Following Lipinski's Rule of Five, 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3 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 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3?
The CAS number of 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3 is 134508-36-4.
What is the molecular formula of 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3?
The molecular formula of 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3 is C29H46O3.
What is the molecular weight of 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3?
The molecular weight of 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3 is 442.34 g/mol.
Where can I buy 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3?
You can request a quote for 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1,25-dihydroxy-26,27-dihomo-22-ene-vitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.