(5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL
TL;DR: (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL (CAS 51744-66-2) 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,3E)-3-[(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-methylidenecyclohexan-1-ol
Also Known As: 5,6-trans-Vitamin D2, ergocalciferol, Ergocalciferolo, Ergocalciferols, Calciferol
| 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 | 678.42737 |
Chemical Identifiers
| CAS Number | 51744-66-2 |
|---|---|
| SMILES | C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C |
Product Overview
(5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL (CAS 51744-66-2), with molecular formula C28H44O and molecular weight 396.34 g/mol. IUPAC: (1S,3E)-3-[(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-methylidenecyclohexan-1-ol.
Chemical Property Profile of (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL
Property Insights of (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL
The XLogP value of 7.641 indicates that (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL 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 (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL?
The CAS number of (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL is 51744-66-2.
What is the molecular formula of (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL?
The molecular formula of (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL is C28H44O.
What is the molecular weight of (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL?
The molecular weight of (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL is 396.34 g/mol.
Where can I buy (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL?
You can request a quote for (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL?
Yes, KEHONG BIO provides custom synthesis services for (5E,7E,22E)-9,10-Secoergosta-5,7,10(19),22-tetraen-3beta-OL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.