![N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide structure](/static/products/4288/428857-90-3.webp)
N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide
TL;DR: N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide (CAS 428857-90-3) is a chemical compound with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(butanoylcarbamothioylamino)phenyl]benzamide
Also Known As: N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide, N-(3-{[(butyrylamino)carbonothioyl]amino}phenyl)benzamide, N-[3-(butanoylcarbamothioylamino)phenyl]benzamide, n-(3-([(butyrylamino)carbonothioyl]amino)phenyl)benzamide, N-(3-(3-BUTYRYLTHIOUREIDO)PHENYL)BENZAMIDE
| Molecular Formula | C18H19N3O2S |
|---|---|
| Molecular Weight | 341.12 g/mol |
| LogP | 3.552 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.1198 |
| Heavy Atoms | 24 |
| Complexity | 732.0535 |
Chemical Identifiers
| CAS Number | 428857-90-3 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2 |
Product Overview
N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide (CAS 428857-90-3), with molecular formula C18H19N3O2S and molecular weight 341.12 g/mol. IUPAC: N-[3-(butanoylcarbamothioylamino)phenyl]benzamide.
Chemical Property Profile of N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide
Property Insights of N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide
The XLogP value of 3.552 indicates that N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide. Following Lipinski's Rule of Five, N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide has 3 hydrogen bond donor(s) and 3 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-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide?
The CAS number of N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide is 428857-90-3.
What is the molecular formula of N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide?
The molecular formula of N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide is C18H19N3O2S.
What is the molecular weight of N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide?
The molecular weight of N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide is 341.12 g/mol.
Where can I buy N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide?
You can request a quote for N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{3-[(butanamidomethanethioyl)amino]phenyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.