Calcitriol-26,23-lactone
TL;DR: Calcitriol-26,23-lactone (CAS 208408-46-2) is a chemical compound with molecular formula C27H40O5 and molecular weight 444.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one
Also Known As: Calcitriol lactone, 1,25-Lactone, Calcitriol-26,23-lactone, 1,25-dihydroxyvitamin D3-26,23-lactone, 1alpha,25(OH)2D3-Lactone
| Molecular Formula | C27H40O5 |
|---|---|
| Molecular Weight | 444.29 g/mol |
| LogP | 4.2201 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.28757 |
| Heavy Atoms | 32 |
| Complexity | 823.9033 |
Chemical Identifiers
| CAS Number | 208408-46-2 |
|---|---|
| SMILES | C[C@H](C[C@H]1C[C@@](C(=O)O1)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C |
Product Overview
Calcitriol-26,23-lactone (CAS 208408-46-2), with molecular formula C27H40O5 and molecular weight 444.29 g/mol. IUPAC: (3R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-hydroxy-3-methyloxolan-2-one.
Chemical Property Profile of Calcitriol-26,23-lactone
Property Insights of Calcitriol-26,23-lactone
The XLogP value of 4.2201 indicates that Calcitriol-26,23-lactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcitriol-26,23-lactone. Following Lipinski's Rule of Five, Calcitriol-26,23-lactone has 3 hydrogen bond donor(s) and 5 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 Calcitriol-26,23-lactone?
The CAS number of Calcitriol-26,23-lactone is 208408-46-2.
What is the molecular formula of Calcitriol-26,23-lactone?
The molecular formula of Calcitriol-26,23-lactone is C27H40O5.
What is the molecular weight of Calcitriol-26,23-lactone?
The molecular weight of Calcitriol-26,23-lactone is 444.29 g/mol.
Where can I buy Calcitriol-26,23-lactone?
You can request a quote for Calcitriol-26,23-lactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcitriol-26,23-lactone?
Yes, KEHONG BIO provides custom synthesis services for Calcitriol-26,23-lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.