AB00108750-01
TL;DR: AB00108750-01 (CAS 428494-15-9) is a chemical compound with molecular formula C25H21N3O4S and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-methoxy-4-[(3-methylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
Also Known As: AB00108750-01, N-[2-methoxy-4-[(3-methylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide, N-[2-methoxy-4-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)phenyl]-1-benzofuran-2-carboxamide, N-[2-methoxy-4-[(3-methylbenzoyl)thiocarbamoylamino]phenyl]benzofuran-2-carboxamide
| Molecular Formula | C25H21N3O4S |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | 5.12892 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.12527 |
| Heavy Atoms | 33 |
| Complexity | 1329.7882 |
Chemical Identifiers
| CAS Number | 428494-15-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OC |
Product Overview
AB00108750-01 (CAS 428494-15-9), with molecular formula C25H21N3O4S and molecular weight 459.13 g/mol. IUPAC: N-[2-methoxy-4-[(3-methylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide.
Chemical Property Profile of AB00108750-01
Property Insights of AB00108750-01
The XLogP value of 5.12892 indicates that AB00108750-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00108750-01. Following Lipinski's Rule of Five, AB00108750-01 has 3 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 AB00108750-01?
The CAS number of AB00108750-01 is 428494-15-9.
What is the molecular formula of AB00108750-01?
The molecular formula of AB00108750-01 is C25H21N3O4S.
What is the molecular weight of AB00108750-01?
The molecular weight of AB00108750-01 is 459.13 g/mol.
Where can I buy AB00108750-01?
You can request a quote for AB00108750-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00108750-01?
Yes, KEHONG BIO provides custom synthesis services for AB00108750-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.