1,24-Dihydroxy-22-dehydrovitamin D3
TL;DR: 1,24-Dihydroxy-22-dehydrovitamin D3 (CAS 95270-41-0) is a chemical compound with molecular formula C27H42O3 and molecular weight 414.31 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,5R)-5-hydroxy-6-methylhept-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: 1,24-Dihydroxy-22-dehydrovitamin D3, 1,24-OH-22-DH-D3, 1,24-Dihydroxy-22-dehydrocholecalciferol, (5Z,7E,22E)-(1S,3R,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol, (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5-hydroxy-6-methylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
| Molecular Formula | C27H42O3 |
|---|---|
| Molecular Weight | 414.31 g/mol |
| LogP | 5.3366 |
| Topological Polar Surface Area | 60.69 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.3134 |
| Heavy Atoms | 30 |
| Complexity | 715.6198 |
Chemical Identifiers
| CAS Number | 95270-41-0 |
|---|---|
| SMILES | C[C@H](/C=C/[C@@H](C(C)C)O)[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 |
Product Overview
1,24-Dihydroxy-22-dehydrovitamin D3 (CAS 95270-41-0), with molecular formula C27H42O3 and molecular weight 414.31 g/mol. IUPAC: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5-hydroxy-6-methylhept-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 1,24-Dihydroxy-22-dehydrovitamin D3
Property Insights of 1,24-Dihydroxy-22-dehydrovitamin D3
The XLogP value of 5.3366 indicates that 1,24-Dihydroxy-22-dehydrovitamin 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 1,24-Dihydroxy-22-dehydrovitamin D3. Following Lipinski's Rule of Five, 1,24-Dihydroxy-22-dehydrovitamin 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 1,24-Dihydroxy-22-dehydrovitamin D3?
The CAS number of 1,24-Dihydroxy-22-dehydrovitamin D3 is 95270-41-0.
What is the molecular formula of 1,24-Dihydroxy-22-dehydrovitamin D3?
The molecular formula of 1,24-Dihydroxy-22-dehydrovitamin D3 is C27H42O3.
What is the molecular weight of 1,24-Dihydroxy-22-dehydrovitamin D3?
The molecular weight of 1,24-Dihydroxy-22-dehydrovitamin D3 is 414.31 g/mol.
Where can I buy 1,24-Dihydroxy-22-dehydrovitamin D3?
You can request a quote for 1,24-Dihydroxy-22-dehydrovitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,24-Dihydroxy-22-dehydrovitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1,24-Dihydroxy-22-dehydrovitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.