Doxercalciferol
TL;DR: Doxercalciferol (CAS 127516-23-8) is a chemical compound with molecular formula C28H44O2 and molecular weight 412.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[1-(5,6-dimethylhept-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: Doxercalciferol, Hectorol, trans-Doxercalciferol, 1alpha-OH-D2, 1-Hydroxyergocalciferol
| Molecular Formula | C28H44O2 |
|---|---|
| Molecular Weight | 412.33 g/mol |
| LogP | 6.6118 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.33414 |
| Heavy Atoms | 30 |
| Complexity | 712.15076 |
Chemical Identifiers
| CAS Number | 127516-23-8 |
|---|---|
| SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C |
Product Overview
Doxercalciferol (CAS 127516-23-8), with molecular formula C28H44O2 and molecular weight 412.33 g/mol. IUPAC: 5-[2-[1-(5,6-dimethylhept-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 Doxercalciferol
Property Insights of Doxercalciferol
The XLogP value of 6.6118 indicates that Doxercalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, Doxercalciferol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Doxercalciferol 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 Doxercalciferol?
The CAS number of Doxercalciferol is 127516-23-8.
What is the molecular formula of Doxercalciferol?
The molecular formula of Doxercalciferol is C28H44O2.
What is the molecular weight of Doxercalciferol?
The molecular weight of Doxercalciferol is 412.33 g/mol.
Where can I buy Doxercalciferol?
You can request a quote for Doxercalciferol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doxercalciferol?
Yes, KEHONG BIO provides custom synthesis services for Doxercalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.