![Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate structure](/static/products/4775/477505-33-2.webp)
Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate
TL;DR: Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate (CAS 477505-33-2) is a chemical compound with molecular formula C18H15N3O3S2 and molecular weight 385.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamothioylcarbamoyl]benzoate
Also Known As: F0834-0046, methyl 4-({[(2-methyl-1,3-benzothiazol-6-yl)carbamothioyl]amino}carbonyl)benzoate, methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate, methyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamothioylcarbamoyl]benzoate
| Molecular Formula | C18H15N3O3S2 |
|---|---|
| Molecular Weight | 385.06 g/mol |
| LogP | 3.51812 |
| Topological Polar Surface Area | 80.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.05548 |
| Heavy Atoms | 26 |
| Complexity | 996.58887 |
Chemical Identifiers
| CAS Number | 477505-33-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate (CAS 477505-33-2), with molecular formula C18H15N3O3S2 and molecular weight 385.06 g/mol. IUPAC: methyl 4-[(2-methyl-1,3-benzothiazol-6-yl)carbamothioylcarbamoyl]benzoate.
Chemical Property Profile of Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate
Property Insights of Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate
The XLogP value of 3.51812 indicates that Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate has 2 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 Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate?
The CAS number of Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate is 477505-33-2.
What is the molecular formula of Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate?
The molecular formula of Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate is C18H15N3O3S2.
What is the molecular weight of Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate?
The molecular weight of Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate is 385.06 g/mol.
Where can I buy Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate?
You can request a quote for Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(((2-methylbenzo[d]thiazol-6-yl)carbamothioyl)carbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.