Calcifediol lactone
TL;DR: Calcifediol lactone (CAS 71302-34-6) is a chemical compound with molecular formula C27H40O4 and molecular weight 428.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-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: calcifediol lactone, Calcidiol lactone, 25-Ohd(3)-26,23-lactone, 25-Hydroxyvitamine D3-lactone, 25-Hydroxy vitamin D3-26,23-lactone
| Molecular Formula | C27H40O4 |
|---|---|
| Molecular Weight | 428.29 g/mol |
| LogP | 5.2493 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.29266 |
| Heavy Atoms | 31 |
| Complexity | 791.05817 |
Chemical Identifiers
| CAS Number | 71302-34-6 |
|---|---|
| SMILES | C[C@H](CC1CC(C(=O)O1)(C)O)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](CCC4=C)O)C |
Product Overview
Calcifediol lactone (CAS 71302-34-6), with molecular formula C27H40O4 and molecular weight 428.29 g/mol. IUPAC: 5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-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 Calcifediol lactone
Property Insights of Calcifediol lactone
The XLogP value of 5.2493 indicates that Calcifediol lactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcifediol lactone. Following Lipinski's Rule of Five, Calcifediol lactone has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calcifediol lactone?
The CAS number of Calcifediol lactone is 71302-34-6.
What is the molecular formula of Calcifediol lactone?
The molecular formula of Calcifediol lactone is C27H40O4.
What is the molecular weight of Calcifediol lactone?
The molecular weight of Calcifediol lactone is 428.29 g/mol.
Where can I buy Calcifediol lactone?
You can request a quote for Calcifediol lactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcifediol lactone?
Yes, KEHONG BIO provides custom synthesis services for Calcifediol lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.