1beta-Maxacalcitol
TL;DR: 1beta-Maxacalcitol (CAS 169218-34-2) is a chemical compound with molecular formula C26H42O4 and molecular weight 418.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2E)-2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: 1beta-maxacalcitol, B1128-054106, (5E)-5-[(2E)-2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
| Molecular Formula | C26H42O4 |
|---|---|
| Molecular Weight | 418.31 g/mol |
| LogP | 4.6935 |
| Topological Polar Surface Area | 69.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.30832 |
| Heavy Atoms | 30 |
| Complexity | 685.6374 |
Chemical Identifiers
| CAS Number | 169218-34-2 |
|---|---|
| SMILES | CC(C1CCC\2C1(CCC/C2=C\C=C\3/CC(CC(C3=C)O)O)C)OCCC(C)(C)O |
Product Overview
1beta-Maxacalcitol (CAS 169218-34-2), with molecular formula C26H42O4 and molecular weight 418.31 g/mol. IUPAC: (5E)-5-[(2E)-2-[1-[1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of 1beta-Maxacalcitol
Property Insights of 1beta-Maxacalcitol
The XLogP value of 4.6935 indicates that 1beta-Maxacalcitol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1beta-Maxacalcitol. Following Lipinski's Rule of Five, 1beta-Maxacalcitol has 3 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 1beta-Maxacalcitol?
The CAS number of 1beta-Maxacalcitol is 169218-34-2.
What is the molecular formula of 1beta-Maxacalcitol?
The molecular formula of 1beta-Maxacalcitol is C26H42O4.
What is the molecular weight of 1beta-Maxacalcitol?
The molecular weight of 1beta-Maxacalcitol is 418.31 g/mol.
Where can I buy 1beta-Maxacalcitol?
You can request a quote for 1beta-Maxacalcitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1beta-Maxacalcitol?
Yes, KEHONG BIO provides custom synthesis services for 1beta-Maxacalcitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.