ABT100
TL;DR: ABT100 (CAS 450839-40-4) is a chemical compound with molecular formula C27H19F3N4O3 and molecular weight 504.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2S)-2-(4-cyanophenyl)-2-hydroxy-2-(3-methylimidazol-4-yl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]benzonitrile
Also Known As: ABT100, ABT 100, EX-A11020, SID:125240953, 4-[(2S)-2-(4-cyanophenyl)-2-hydroxy-2-(3-methylimidazol-4-yl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]benzonitrile
| Molecular Formula | C27H19F3N4O3 |
|---|---|
| Molecular Weight | 504.14 g/mol |
| LogP | 5.04396 |
| Topological Polar Surface Area | 104.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.14093 |
| Heavy Atoms | 37 |
| Complexity | 1483.8032 |
Chemical Identifiers
| CAS Number | 450839-40-4 |
|---|---|
| SMILES | CN1C=NC=C1[C@](COC2=C(C=C(C=C2)C#N)C3=CC=C(C=C3)OC(F)(F)F)(C4=CC=C(C=C4)C#N)O |
Product Overview
ABT100 (CAS 450839-40-4), with molecular formula C27H19F3N4O3 and molecular weight 504.14 g/mol. IUPAC: 4-[(2S)-2-(4-cyanophenyl)-2-hydroxy-2-(3-methylimidazol-4-yl)ethoxy]-3-[4-(trifluoromethoxy)phenyl]benzonitrile.
Chemical Property Profile of ABT100
Property Insights of ABT100
The XLogP value of 5.04396 indicates that ABT100 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.09 Ų falls within the moderate polarity range, balancing permeability and solubility for ABT100. Following Lipinski's Rule of Five, ABT100 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 ABT100?
The CAS number of ABT100 is 450839-40-4.
What is the molecular formula of ABT100?
The molecular formula of ABT100 is C27H19F3N4O3.
What is the molecular weight of ABT100?
The molecular weight of ABT100 is 504.14 g/mol.
Where can I buy ABT100?
You can request a quote for ABT100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ABT100?
Yes, KEHONG BIO provides custom synthesis services for ABT100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.