Epicholecalciferol
TL;DR: Epicholecalciferol (CAS 8050-67-7) is a chemical compound with molecular formula C27H44O and molecular weight 384.34 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)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Also Known As: 3-epi-vitamin D3, cholecalciferol, Epicholecalciferol, Vitamin D3, 25-Hydroxyvitamin D
| Molecular Formula | C27H44O |
|---|---|
| Molecular Weight | 384.34 g/mol |
| LogP | 7.619 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.3392 |
| Heavy Atoms | 28 |
| Complexity | 609.75183 |
Chemical Identifiers
| CAS Number | 8050-67-7 |
|---|---|
| SMILES | C[C@H](CCCC(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
Epicholecalciferol (CAS 8050-67-7), with molecular formula C27H44O and molecular weight 384.34 g/mol. IUPAC: (1R,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol.
Chemical Property Profile of Epicholecalciferol
Property Insights of Epicholecalciferol
The XLogP value of 7.619 indicates that Epicholecalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.23 Ų, Epicholecalciferol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Epicholecalciferol 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 Epicholecalciferol?
The CAS number of Epicholecalciferol is 8050-67-7.
What is the molecular formula of Epicholecalciferol?
The molecular formula of Epicholecalciferol is C27H44O.
What is the molecular weight of Epicholecalciferol?
The molecular weight of Epicholecalciferol is 384.34 g/mol.
Where can I buy Epicholecalciferol?
You can request a quote for Epicholecalciferol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epicholecalciferol?
Yes, KEHONG BIO provides custom synthesis services for Epicholecalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.