AB00109593-01
TL;DR: AB00109593-01 (CAS 428838-77-1) is a chemical compound with molecular formula C24H17N3O3S2 and molecular weight 459.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
Also Known As: AB00109593-01, N-((3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-3-methylbenzofuran-2-carboxamide, 1-[3-(1,3-BENZOTHIAZOL-2-YL)-4-HYDROXYPHENYL]-3-(3-METHYL-1-BENZOFURAN-2-CARBONYL)THIOUREA, N-[[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide, N-[[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
| Molecular Formula | C24H17N3O3S2 |
|---|---|
| Molecular Weight | 459.07 g/mol |
| LogP | 5.85032 |
| Topological Polar Surface Area | 87.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.07114 |
| Heavy Atoms | 32 |
| Complexity | 1470.2457 |
Chemical Identifiers
| CAS Number | 428838-77-1 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC(=C(C=C3)O)C4=NC5=CC=CC=C5S4 |
Product Overview
AB00109593-01 (CAS 428838-77-1), with molecular formula C24H17N3O3S2 and molecular weight 459.07 g/mol. IUPAC: N-[[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of AB00109593-01
Property Insights of AB00109593-01
The XLogP value of 5.85032 indicates that AB00109593-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.39 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00109593-01. Following Lipinski's Rule of Five, AB00109593-01 has 3 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 AB00109593-01?
The CAS number of AB00109593-01 is 428838-77-1.
What is the molecular formula of AB00109593-01?
The molecular formula of AB00109593-01 is C24H17N3O3S2.
What is the molecular weight of AB00109593-01?
The molecular weight of AB00109593-01 is 459.07 g/mol.
Where can I buy AB00109593-01?
You can request a quote for AB00109593-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109593-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109593-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.