Lexacalcitol
TL;DR: Lexacalcitol (CAS 131875-08-6) is a chemical compound with molecular formula C29H48O4 and molecular weight 460.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-[1-[1-(4-ethyl-4-hydroxyhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Also Known As: Lexacalcitol, KH1060; KH-1060; KH 1060, 5-[2-[1-[1-(4-ethyl-4-hydroxyhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
| Molecular Formula | C29H48O4 |
|---|---|
| Molecular Weight | 460.36 g/mol |
| LogP | 5.8638 |
| Topological Polar Surface Area | 69.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.35526 |
| Heavy Atoms | 33 |
| Complexity | 733.9039 |
Chemical Identifiers
| CAS Number | 131875-08-6 |
|---|---|
| SMILES | CCC(CC)(CCCOC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O |
Product Overview
Lexacalcitol (CAS 131875-08-6), with molecular formula C29H48O4 and molecular weight 460.36 g/mol. IUPAC: 5-[2-[1-[1-(4-ethyl-4-hydroxyhexoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol.
Chemical Property Profile of Lexacalcitol
Property Insights of Lexacalcitol
The XLogP value of 5.8638 indicates that Lexacalcitol 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 Lexacalcitol. Following Lipinski's Rule of Five, Lexacalcitol has 3 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 Lexacalcitol?
The CAS number of Lexacalcitol is 131875-08-6.
What is the molecular formula of Lexacalcitol?
The molecular formula of Lexacalcitol is C29H48O4.
What is the molecular weight of Lexacalcitol?
The molecular weight of Lexacalcitol is 460.36 g/mol.
Where can I buy Lexacalcitol?
You can request a quote for Lexacalcitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Lexacalcitol?
Yes, KEHONG BIO provides custom synthesis services for Lexacalcitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.