AB00111433-01
TL;DR: AB00111433-01 (CAS 428858-62-2) is a chemical compound with molecular formula C24H19N3O5S and molecular weight 461.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
Also Known As: AB00111433-01, N-[4-({[(2E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl}amino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide, N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide, N-[4-[3-(2-furyl)prop-2-enoylthiocarbamoylamino]-2-methoxy-phenyl]benzofuran-2-carboxamide
| Molecular Formula | C24H19N3O5S |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 4.8131 |
| Topological Polar Surface Area | 105.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.10455 |
| Heavy Atoms | 33 |
| Complexity | 1308.4103 |
Chemical Identifiers
| CAS Number | 428858-62-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CO2)NC(=O)C3=CC4=CC=CC=C4O3 |
Product Overview
AB00111433-01 (CAS 428858-62-2), with molecular formula C24H19N3O5S and molecular weight 461.10 g/mol. IUPAC: N-[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of AB00111433-01
Property Insights of AB00111433-01
The XLogP value of 4.8131 indicates that AB00111433-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.74 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00111433-01. Following Lipinski's Rule of Five, AB00111433-01 has 3 hydrogen bond donor(s) and 6 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 AB00111433-01?
The CAS number of AB00111433-01 is 428858-62-2.
What is the molecular formula of AB00111433-01?
The molecular formula of AB00111433-01 is C24H19N3O5S.
What is the molecular weight of AB00111433-01?
The molecular weight of AB00111433-01 is 461.10 g/mol.
Where can I buy AB00111433-01?
You can request a quote for AB00111433-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00111433-01?
Yes, KEHONG BIO provides custom synthesis services for AB00111433-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.