AB00109317-01
TL;DR: AB00109317-01 (CAS 428830-30-2) is a chemical compound with molecular formula C18H17N3O4S2 and molecular weight 403.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]-1,3-thiazole-5-carboxylate
Also Known As: AB00109317-01, ethyl 4-methyl-2-({[(3-methyl-1-benzofuran-2-yl)carbonyl]carbamothioyl}amino)-1,3-thiazole-5-carboxylate, ethyl 4-methyl-2-(3-(3-methylbenzofuran-2-carbonyl)thioureido)thiazole-5-carboxylate, ETHYL 4-METHYL-2-({[(3-METHYL-1-BENZOFURAN-2-YL)FORMAMIDO]METHANETHIOYL}AMINO)-1,3-THIAZOLE-5-CARBOXYLATE, ethyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]-1,3-thiazole-5-carboxylate
| Molecular Formula | C18H17N3O4S2 |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 3.80964 |
| Topological Polar Surface Area | 93.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.06604 |
| Heavy Atoms | 27 |
| Complexity | 1038.5829 |
Chemical Identifiers
| CAS Number | 428830-30-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=C(C3=CC=CC=C3O2)C)C |
Product Overview
AB00109317-01 (CAS 428830-30-2), with molecular formula C18H17N3O4S2 and molecular weight 403.07 g/mol. IUPAC: ethyl 4-methyl-2-[(3-methyl-1-benzofuran-2-carbonyl)carbamothioylamino]-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AB00109317-01
Property Insights of AB00109317-01
The XLogP value of 3.80964 indicates that AB00109317-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00109317-01. Following Lipinski's Rule of Five, AB00109317-01 has 2 hydrogen bond donor(s) and 7 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 AB00109317-01?
The CAS number of AB00109317-01 is 428830-30-2.
What is the molecular formula of AB00109317-01?
The molecular formula of AB00109317-01 is C18H17N3O4S2.
What is the molecular weight of AB00109317-01?
The molecular weight of AB00109317-01 is 403.07 g/mol.
Where can I buy AB00109317-01?
You can request a quote for AB00109317-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00109317-01?
Yes, KEHONG BIO provides custom synthesis services for AB00109317-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.