3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide
TL;DR: 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide (CAS 477324-38-2) is a chemical compound with molecular formula C18H17N3O3S2 and molecular weight 387.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide
Also Known As: 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide, 1-(3,5-dimethoxybenzoyl)-3-[(2E)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]thiourea
| Molecular Formula | C18H17N3O3S2 |
|---|---|
| Molecular Weight | 387.07 g/mol |
| LogP | 2.8726 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.07114 |
| Heavy Atoms | 26 |
| Complexity | 1031.0111 |
Chemical Identifiers
| CAS Number | 477324-38-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=NC(=S)NC(=O)C3=CC(=CC(=C3)OC)OC |
Product Overview
3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide (CAS 477324-38-2), with molecular formula C18H17N3O3S2 and molecular weight 387.07 g/mol. IUPAC: 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide.
Chemical Property Profile of 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide
Property Insights of 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide
The XLogP value of 2.8726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide 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 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide?
The CAS number of 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide is 477324-38-2.
What is the molecular formula of 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide?
The molecular formula of 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide is C18H17N3O3S2.
What is the molecular weight of 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide?
The molecular weight of 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide is 387.07 g/mol.
Where can I buy 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide?
You can request a quote for 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethoxy-N-[(3-methyl-1,3-benzothiazol-2-ylidene)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.