Isovitamin D2
TL;DR: Isovitamin D2 (CAS 51744-67-3) is a chemical compound with molecular formula C28H44O and molecular weight 396.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohex-3-en-1-ol
Also Known As: Isovitamin D2, Isovitamin-D2, (5E)-Isovitamin D2, (5E)-isovitamin D2 / (5E)-isoergocalciferol, (5E,7E,22E)-(3S)-9,10-seco-1(10),5,7,22-ergostatetraen 3-ol
| Molecular Formula | C28H44O |
|---|---|
| Molecular Weight | 396.34 g/mol |
| LogP | 7.641 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.3392 |
| Heavy Atoms | 29 |
| Complexity | 691.10236 |
Chemical Identifiers
| CAS Number | 51744-67-3 |
|---|---|
| SMILES | CC\1=CC[C@@H](C/C1=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C)O |
Product Overview
Isovitamin D2 (CAS 51744-67-3), with molecular formula C28H44O and molecular weight 396.34 g/mol. IUPAC: (1S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylcyclohex-3-en-1-ol.
Chemical Property Profile of Isovitamin D2
Property Insights of Isovitamin D2
The XLogP value of 7.641 indicates that Isovitamin D2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, Isovitamin D2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isovitamin D2 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isovitamin D2?
The CAS number of Isovitamin D2 is 51744-67-3.
What is the molecular formula of Isovitamin D2?
The molecular formula of Isovitamin D2 is C28H44O.
What is the molecular weight of Isovitamin D2?
The molecular weight of Isovitamin D2 is 396.34 g/mol.
Where can I buy Isovitamin D2?
You can request a quote for Isovitamin D2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isovitamin D2?
Yes, KEHONG BIO provides custom synthesis services for Isovitamin D2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.