1alpha-Hydroxy-3-epi-vitamin D3
TL;DR: 1alpha-Hydroxy-3-epi-vitamin D3 (CAS 63181-13-5) 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.
cis-(1S,3S,5Z)-5-[(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-methylidenecyclohexane-1,3-diol
Also Known As: alfacalcidol, 1alpha-Hydroxy-3-epi-vitamin D3, Alfacalcidol impurity 13, A-Hydroxy-3-epi-vitamin D3, 1-Hydroxy-3-epi-vitamin D3
| 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 | 63181-13-5 |
|---|---|
| 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-Hydroxy-3-epi-vitamin D3 (CAS 63181-13-5), with molecular formula C27H44O2 and molecular weight 400.33 g/mol. IUPAC: cis-(1S,3S,5Z)-5-[(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-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of 1alpha-Hydroxy-3-epi-vitamin D3
Property Insights of 1alpha-Hydroxy-3-epi-vitamin D3
The XLogP value of 6.5898 indicates that 1alpha-Hydroxy-3-epi-vitamin D3 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-Hydroxy-3-epi-vitamin D3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1alpha-Hydroxy-3-epi-vitamin D3 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-Hydroxy-3-epi-vitamin D3?
The CAS number of 1alpha-Hydroxy-3-epi-vitamin D3 is 63181-13-5.
What is the molecular formula of 1alpha-Hydroxy-3-epi-vitamin D3?
The molecular formula of 1alpha-Hydroxy-3-epi-vitamin D3 is C27H44O2.
What is the molecular weight of 1alpha-Hydroxy-3-epi-vitamin D3?
The molecular weight of 1alpha-Hydroxy-3-epi-vitamin D3 is 400.33 g/mol.
Where can I buy 1alpha-Hydroxy-3-epi-vitamin D3?
You can request a quote for 1alpha-Hydroxy-3-epi-vitamin D3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1alpha-Hydroxy-3-epi-vitamin D3?
Yes, KEHONG BIO provides custom synthesis services for 1alpha-Hydroxy-3-epi-vitamin D3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.