23-Dehydro-25-hydroxyvitamin D3
TL;DR: 23-Dehydro-25-hydroxyvitamin D3 (CAS 80463-19-0) is a chemical compound with molecular formula C27H42O2 and molecular weight 398.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Also Known As: 23-Dehydro-25-hydroxyvitamin D3, (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol, 9,10-Secocholesta-5,7,10(19),23-tetraene-3,25-diol, (3beta,5Z,7E)-, RefChem:89770
| Molecular Formula | C27H42O2 |
|---|---|
| Molecular Weight | 398.32 g/mol |
| LogP | 6.5099 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.31848 |
| Heavy Atoms | 29 |
| Complexity | 689.8166 |
Chemical Identifiers
| CAS Number | 80463-19-0 |
|---|---|
| SMILES | C[C@H](C/C=C/C(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C |
Product Overview
23-Dehydro-25-hydroxyvitamin D3 (CAS 80463-19-0), with molecular formula C27H42O2 and molecular weight 398.32 g/mol. IUPAC: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol.
Chemical Property Profile of 23-Dehydro-25-hydroxyvitamin D3
Property Insights of 23-Dehydro-25-hydroxyvitamin D3
The XLogP value of 6.5099 indicates that 23-Dehydro-25-hydroxyvitamin D3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 23-Dehydro-25-hydroxyvitamin D3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 23-Dehydro-25-hydroxyvitamin D3 has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 23-Dehydro-25-hydroxyvitamin D3?
The CAS number of 23-Dehydro-25-hydroxyvitamin D3 is 80463-19-0.
What is the molecular formula of 23-Dehydro-25-hydroxyvitamin D3?
The molecular formula of 23-Dehydro-25-hydroxyvitamin D3 is C27H42O2.
What is the molecular weight of 23-Dehydro-25-hydroxyvitamin D3?
The molecular weight of 23-Dehydro-25-hydroxyvitamin D3 is 398.32 g/mol.
Where can I buy 23-Dehydro-25-hydroxyvitamin D3?
You can request a quote for 23-Dehydro-25-hydroxyvitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 23-Dehydro-25-hydroxyvitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 23-Dehydro-25-hydroxyvitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.