ABT839
TL;DR: ABT839 (CAS 216234-25-2) is a chemical compound with molecular formula C32H46N2O3S and molecular weight 538.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: ABT839, 1.1-Bis-
| Molecular Formula | C32H46N2O3S |
|---|---|
| Molecular Weight | 538.32 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 538.32294 |
| Heavy Atoms | 38 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 216234-25-2 |
|---|---|
| SMILES | CCCCN(CCC1CCCCC1)CC2=CC(=C(C=C2)C(=O)N[C@@H](CCSC)C(=O)O)C3=CC=CC=C3C |
| InChIKey | GAQHYZNOMLXSEA-PMERELPUSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ABT839 (CAS 216234-25-2), with molecular formula C32H46N2O3S and molecular weight 538.32 g/mol. IUPAC: (2S)-2-[[4-[[butyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of ABT839
Property Insights of ABT839
The XLogP value of 5.7 indicates that ABT839 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ABT839. Following Lipinski's Rule of Five, ABT839 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ABT839?
The CAS number of ABT839 is 216234-25-2.
What is the molecular formula of ABT839?
The molecular formula of ABT839 is C32H46N2O3S.
What is the molecular weight of ABT839?
The molecular weight of ABT839 is 538.32 g/mol.
Where can I buy ABT839?
You can request a quote for ABT839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ABT839?
Yes, KEHONG BIO provides custom synthesis services for ABT839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.