![Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate structure](/static/products/3590/359010-86-9.webp)
Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate
TL;DR: Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate (CAS 359010-86-9) is a chemical compound with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate
Also Known As: IFLab1_005963, BAS 03839866, IDI1_011366, J1.573.579A, METHYL 3-{[4-(6-METHYL-1,3-BENZOTHIAZOL-2-YL)PHENYL]CARBAMOYL}PROPANOATE
| Molecular Formula | C19H18N2O3S |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 4.16342 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.10382 |
| Heavy Atoms | 25 |
| Complexity | 916.06885 |
Chemical Identifiers
| CAS Number | 359010-86-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCC(=O)OC |
Product Overview
Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate (CAS 359010-86-9), with molecular formula C19H18N2O3S and molecular weight 354.10 g/mol. IUPAC: methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate.
Chemical Property Profile of Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate
Property Insights of Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate
The XLogP value of 4.16342 indicates that Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate 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 Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate?
The CAS number of Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate is 359010-86-9.
What is the molecular formula of Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate?
The molecular formula of Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate is C19H18N2O3S.
What is the molecular weight of Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate?
The molecular weight of Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate is 354.10 g/mol.
Where can I buy Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate?
You can request a quote for Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.