![N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide structure](/static/products/878/878987-87-2.png)
N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
TL;DR: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 878987-87-2) is a chemical compound with molecular formula C17H15ClN4O4S2 and molecular weight 438.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
Also Known As: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide, N-((5-chlorobenzo[c][1,2,5]thiadiazol-4-yl)carbamothioyl)-3,4,5-trimethoxybenzamide
| Molecular Formula | C17H15ClN4O4S2 |
|---|---|
| Molecular Weight | 438.02 g/mol |
| LogP | 3.4973 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.02234 |
| Heavy Atoms | 28 |
| Complexity | 1031.8086 |
Chemical Identifiers
| CAS Number | 878987-87-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=C(C=CC3=NSN=C32)Cl |
Product Overview
N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide (CAS 878987-87-2), with molecular formula C17H15ClN4O4S2 and molecular weight 438.02 g/mol. IUPAC: N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
Property Insights of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide
The XLogP value of 3.4973 indicates that N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide has 2 hydrogen bond donor(s) and 8 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-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The CAS number of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide is 878987-87-2.
What is the molecular formula of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular formula of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide is C17H15ClN4O4S2.
What is the molecular weight of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide?
The molecular weight of N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide is 438.02 g/mol.
Where can I buy N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide?
You can request a quote for N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-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-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-chloro-2,1,3-benzothiadiazol-4-yl)carbamothioyl]-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.