1alpha-Hydroxypregnacalciferol
TL;DR: 1alpha-Hydroxypregnacalciferol (CAS 1279049-53-4) is a chemical compound with molecular formula C27H44O2 and molecular weight 400.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-(1R,3S,5E)-5-[(2Z)-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-methylidenecyclohexane-1,3-diol
Also Known As: alfacalcidol, Etalpha, Alphacalcidol, Alfacalcidolum, Oxydevit
| Molecular Formula | C27H44O2 |
|---|---|
| Molecular Weight | 400.33 g/mol |
| LogP | 6.5898 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.33414 |
| Heavy Atoms | 29 |
| Complexity | 642.9232 |
Chemical Identifiers
| CAS Number | 1279049-53-4 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C/C=C/3\C[C@H](C[C@@H](C3=C)O)O)C |
Product Overview
1alpha-Hydroxypregnacalciferol (CAS 1279049-53-4), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: trans-(1R,3S,5E)-5-[(2Z)-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-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of 1alpha-Hydroxypregnacalciferol
Property Insights of 1alpha-Hydroxypregnacalciferol
The XLogP value of 6.5898 indicates that 1alpha-Hydroxypregnacalciferol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.46 Ų, 1alpha-Hydroxypregnacalciferol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1alpha-Hydroxypregnacalciferol 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 1alpha-Hydroxypregnacalciferol?
The CAS number of 1alpha-Hydroxypregnacalciferol is 1279049-53-4.
What is the molecular formula of 1alpha-Hydroxypregnacalciferol?
The molecular formula of 1alpha-Hydroxypregnacalciferol is C27H44O2.
What is the molecular weight of 1alpha-Hydroxypregnacalciferol?
The molecular weight of 1alpha-Hydroxypregnacalciferol is 400.33 g/mol.
Where can I buy 1alpha-Hydroxypregnacalciferol?
You can request a quote for 1alpha-Hydroxypregnacalciferol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1alpha-Hydroxypregnacalciferol?
Yes, KEHONG BIO provides custom synthesis services for 1alpha-Hydroxypregnacalciferol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.