Maralixibat Chloride
TL;DR: Maralixibat Chloride (CAS 228113-66-4) is a chemical compound with molecular formula C40H56ClN3O4S and molecular weight 709.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Maralixibat Chloride
(4R,5R)-5-[4-[[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methoxy]phenyl]-3,3-dibutyl-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-4-ol chloride
Also Known As: Maralixibat chloride, Lopixibat chloride, Livmarli, Maralixibat (chloride), cloruro de maralixibat
| Molecular Formula | C40H56ClN3O4S |
|---|---|
| Molecular Weight | 709.37 g/mol |
| LogP | 3.6285 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 709.368 |
| Heavy Atoms | 49 |
| Complexity | 1615.1516 |
Chemical Identifiers
| CAS Number | 228113-66-4 |
|---|---|
| SMILES | CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)C[N+]56CCN(CC5)CC6)CCCC.[Cl-] |
Product Overview
Maralixibat Chloride (CAS 228113-66-4), with molecular formula C40H56ClN3O4S and molecular weight 709.37 g/mol. IUPAC: (4R,5R)-5-[4-[[4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylmethyl)phenyl]methoxy]phenyl]-3,3-dibutyl-7-(dimethylamino)-1,1-dioxo-4,5-dihydro-2H-1λ6-benzothiepin-4-ol chloride.
Chemical Property Profile of Maralixibat Chloride
Property Insights of Maralixibat Chloride
The XLogP value of 3.6285 indicates that Maralixibat Chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for Maralixibat Chloride. Following Lipinski's Rule of Five, Maralixibat Chloride has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Maralixibat Chloride?
The CAS number of Maralixibat Chloride is 228113-66-4.
What is the molecular formula of Maralixibat Chloride?
The molecular formula of Maralixibat Chloride is C40H56ClN3O4S.
What is the molecular weight of Maralixibat Chloride?
The molecular weight of Maralixibat Chloride is 709.37 g/mol.
Where can I buy Maralixibat Chloride?
You can request a quote for Maralixibat Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Maralixibat Chloride?
Yes, KEHONG BIO provides custom synthesis services for Maralixibat Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.