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N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide
TL;DR: N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide (CAS 701938-33-2) is a chemical compound with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide
Also Known As: N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide, N-benzyl-3-{[(3,4-dimethoxyphenyl)carbamothioyl]amino}benzamide, [3-({[(3,4-dimethoxyphenyl)amino]thioxomethyl}amino)phenyl]-N-benzylcarboxamid e
| Molecular Formula | C23H23N3O3S |
|---|---|
| Molecular Weight | 421.15 g/mol |
| LogP | 4.4427 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.14603 |
| Heavy Atoms | 30 |
| Complexity | 1025.2118 |
Chemical Identifiers
| CAS Number | 701938-33-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3)OC |
Product Overview
N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide (CAS 701938-33-2), with molecular formula C23H23N3O3S and molecular weight 421.15 g/mol. IUPAC: N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide.
Chemical Property Profile of N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide
Property Insights of N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide
The XLogP value of 4.4427 indicates that N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide. Following Lipinski's Rule of Five, N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide has 3 hydrogen bond donor(s) and 4 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-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide?
The CAS number of N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide is 701938-33-2.
What is the molecular formula of N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide?
The molecular formula of N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide is C23H23N3O3S.
What is the molecular weight of N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide?
The molecular weight of N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide is 421.15 g/mol.
Where can I buy N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide?
You can request a quote for N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-[(3,4-dimethoxyphenyl)carbamothioylamino]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.