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N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide
TL;DR: N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide (CAS 701280-18-4) is a chemical compound with molecular formula C16H17N3OS and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide
Also Known As: N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide, N-{4-[(aminocarbothioyl)amino]phenyl}-3,5-dimethylbenzamide, AP-970/42250025
| Molecular Formula | C16H17N3OS |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 3.21124 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.10922 |
| Heavy Atoms | 21 |
| Complexity | 660.1715 |
Chemical Identifiers
| CAS Number | 701280-18-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)N)C |
Product Overview
N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide (CAS 701280-18-4), with molecular formula C16H17N3OS and molecular weight 299.11 g/mol. IUPAC: N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide.
Chemical Property Profile of N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide
Property Insights of N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide
The XLogP value of 3.21124 indicates that N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide. Following Lipinski's Rule of Five, N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide has 3 hydrogen bond donor(s) and 2 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-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide?
The CAS number of N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide is 701280-18-4.
What is the molecular formula of N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide?
The molecular formula of N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide is C16H17N3OS.
What is the molecular weight of N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide?
The molecular weight of N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide is 299.11 g/mol.
Where can I buy N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide?
You can request a quote for N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(carbamothioylamino)phenyl]-3,5-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.