AB00119651-01
TL;DR: AB00119651-01 (CAS 355429-01-5) is a chemical compound with molecular formula C26H20ClNO5 and molecular weight 461.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-[(4-chlorophenyl)methyl]-3-hydroxyindol-2-one
Also Known As: AB00119651-01, 3-[(3E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-en-1-yl]-1-(4-chlorobenzyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one, 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-[(4-chlorophenyl)methyl]-3-hydroxyindol-2-one, (E)-3-(4-(benzo[d][1,3]dioxol-5-yl)-2-oxobut-3-en-1-yl)-1-(4-chlorobenzyl)-3-hydroxyindolin-2-one, 3-((3E)-4-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-2-oxobut-3-enyl)-1-[(4-chlorophen yl)methyl]-3-hydroxyindolin-2-one
| Molecular Formula | C26H20ClNO5 |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 4.4757 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.103 |
| Heavy Atoms | 33 |
| Complexity | 1269.9288 |
Chemical Identifiers
| CAS Number | 355429-01-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)CC3(C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)Cl)O |
Product Overview
AB00119651-01 (CAS 355429-01-5), with molecular formula C26H20ClNO5 and molecular weight 461.10 g/mol. IUPAC: 3-[(E)-4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1-[(4-chlorophenyl)methyl]-3-hydroxyindol-2-one.
Chemical Property Profile of AB00119651-01
Property Insights of AB00119651-01
The XLogP value of 4.4757 indicates that AB00119651-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00119651-01. Following Lipinski's Rule of Five, AB00119651-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00119651-01?
The CAS number of AB00119651-01 is 355429-01-5.
What is the molecular formula of AB00119651-01?
The molecular formula of AB00119651-01 is C26H20ClNO5.
What is the molecular weight of AB00119651-01?
The molecular weight of AB00119651-01 is 461.10 g/mol.
Where can I buy AB00119651-01?
You can request a quote for AB00119651-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00119651-01?
Yes, KEHONG BIO provides custom synthesis services for AB00119651-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.