N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide
TL;DR: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide (CAS 6396-53-8) 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.
N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide
Also Known As: BAS 02819139, N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide, 1-Benzothiazol-2-yl-3-(3,4,5-trimethoxy-benzoyl)-thiourea, N-[(1,3-benzothiazol-2-ylamino)carbonothioyl]-3,4,5-trimethoxybenzamide, N-[(1,3-Benzothiazol-2-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
| Molecular Formula | C18H17N3O4S2 |
|---|---|
| Molecular Weight | 403.07 g/mol |
| LogP | 3.4489 |
| Topological Polar Surface Area | 81.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.06604 |
| Heavy Atoms | 27 |
| Complexity | 945.1855 |
Chemical Identifiers
| CAS Number | 6396-53-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=NC3=CC=CC=C3S2 |
Product Overview
N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide (CAS 6396-53-8), with molecular formula C18H17N3O4S2 and molecular weight 403.07 g/mol. IUPAC: N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide
Property Insights of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide
The XLogP value of 3.4489 indicates that N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide 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 N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide?
The CAS number of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide is 6396-53-8.
What is the molecular formula of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide?
The molecular formula of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide is C18H17N3O4S2.
What is the molecular weight of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide?
The molecular weight of N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide is 403.07 g/mol.
Where can I buy N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide?
You can request a quote for N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-ylcarbamothioyl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.