calcitetrol
TL;DR: calcitetrol (CAS 72203-93-1) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[1-(5,6-dihydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: calcitetrol, 1,24,25-trihydroxyvitamin D3, (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol, 5-[2-[1-(5,6-dihydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 4.6755 |
| Topological Polar Surface Area | 80.92 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 715.2383 |
Chemical Identifiers
| CAS Number | 72203-93-1 |
|---|---|
| SMILES | CC(CCC(C(C)(C)O)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C |
Product Overview
calcitetrol (CAS 72203-93-1), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: 5-[2-[1-(5,6-dihydroxy-6-methylheptan-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 calcitetrol
Property Insights of calcitetrol
The XLogP value of 4.6755 indicates that calcitetrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.92 Ų falls within the moderate polarity range, balancing permeability and solubility for calcitetrol. Following Lipinski's Rule of Five, calcitetrol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of calcitetrol?
The CAS number of calcitetrol is 72203-93-1.
What is the molecular formula of calcitetrol?
The molecular formula of calcitetrol is C27H44O4.
What is the molecular weight of calcitetrol?
The molecular weight of calcitetrol is 432.32 g/mol.
Where can I buy calcitetrol?
You can request a quote for calcitetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for calcitetrol?
Yes, KEHONG BIO provides custom synthesis services for calcitetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.