22-Oxacalcitriol-3-hemiglutarate
TL;DR: 22-Oxacalcitriol-3-hemiglutarate (CAS 143773-34-6) is a chemical compound with molecular formula C31H48O7 and molecular weight 532.34 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(1S,3E,5S)-3-[(2E)-2-[(3aR,7aR)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl]oxy-5-oxopentanoic acid
Also Known As: Oct-3-hemiglutarate, Oct-3-HG, 22-Oxacalcitriol-3-hemiglutarate, 5-[(1S,3E,5S)-3-[(2E)-2-[(3aR,7aR)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl]oxy-5-oxopentanoic acid
Technical Specifications
| Molecular Formula | C31H48O7 |
| Molecular Weight | 532.34 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 532.34 Da |
| Heavy Atoms | 38 |
| Complexity | 933.0 |
| SMILES | C[C@@H](C1CC[C@H]\2[C@]1(CCC/C2=C\C=C\3/C[C@@H](C[C@@H](C3=C)O)OC(=O)CCCC(=O)O)C)OCCC(C)(C)O |
| InChIKey | OREIUHIOTGIWFL-YBRHLHBUSA-N |
Chemical Property Profile of 22-Oxacalcitriol-3-hemiglutarate
Property Insights of 22-Oxacalcitriol-3-hemiglutarate
The XLogP value of 3.8 indicates that 22-Oxacalcitriol-3-hemiglutarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 22-Oxacalcitriol-3-hemiglutarate. Following Lipinski's Rule of Five, 22-Oxacalcitriol-3-hemiglutarate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 22-Oxacalcitriol-3-hemiglutarate?
The CAS number of 22-Oxacalcitriol-3-hemiglutarate is 143773-34-6.
What is the molecular formula of 22-Oxacalcitriol-3-hemiglutarate?
The molecular formula of 22-Oxacalcitriol-3-hemiglutarate is C31H48O7.
What is the molecular weight of 22-Oxacalcitriol-3-hemiglutarate?
The molecular weight of 22-Oxacalcitriol-3-hemiglutarate is 532.34 g/mol.
Where can I buy 22-Oxacalcitriol-3-hemiglutarate?
You can request a quote for 22-Oxacalcitriol-3-hemiglutarate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 22-Oxacalcitriol-3-hemiglutarate?
Yes, CoreyChem provides custom synthesis services for 22-Oxacalcitriol-3-hemiglutarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.