Elobixibat
TL;DR: Elobixibat (CAS 439087-18-0) is a chemical compound with molecular formula C36H45N3O7S2 and molecular weight 695.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid
Also Known As: Elobixibat, Goofice, elobixibatum, Elobixibat [INN], elobixibat hydrate
| Molecular Formula | C36H45N3O7S2 |
|---|---|
| Molecular Weight | 695.27 g/mol |
| LogP | 6.1378 |
| Topological Polar Surface Area | 142.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 695.2699 |
| Heavy Atoms | 48 |
| Complexity | 1659.5345 |
Chemical Identifiers
| CAS Number | 439087-18-0 |
|---|---|
| SMILES | CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)N[C@H](C3=CC=CC=C3)C(=O)NCC(=O)O)SC)C4=CC=CC=C4)CCCC |
Product Overview
Elobixibat (CAS 439087-18-0), with molecular formula C36H45N3O7S2 and molecular weight 695.27 g/mol. IUPAC: 2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1λ6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid.
Chemical Property Profile of Elobixibat
Property Insights of Elobixibat
The XLogP value of 6.1378 indicates that Elobixibat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.11 Ų indicates high polarity, suggesting Elobixibat may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Elobixibat has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Elobixibat?
The CAS number of Elobixibat is 439087-18-0.
What is the molecular formula of Elobixibat?
The molecular formula of Elobixibat is C36H45N3O7S2.
What is the molecular weight of Elobixibat?
The molecular weight of Elobixibat is 695.27 g/mol.
Where can I buy Elobixibat?
You can request a quote for Elobixibat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elobixibat?
Yes, KEHONG BIO provides custom synthesis services for Elobixibat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.