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N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
TL;DR: N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide (CAS 642976-96-3) is a chemical compound with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
Also Known As: N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide, N-{[(3-nitrophenyl)amino]carbonothioyl}cyclohexanecarboxamide
| Molecular Formula | C14H17N3O3S |
|---|---|
| Molecular Weight | 307.10 g/mol |
| LogP | 2.9881 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.09906 |
| Heavy Atoms | 21 |
| Complexity | 556.15015 |
Chemical Identifiers
| CAS Number | 642976-96-3 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-] |
Product Overview
N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide (CAS 642976-96-3), with molecular formula C14H17N3O3S and molecular weight 307.10 g/mol. IUPAC: N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide.
Chemical Property Profile of N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
Property Insights of N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide
The XLogP value of 2.9881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide. Following Lipinski's Rule of Five, N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide has 2 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-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide?
The CAS number of N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide is 642976-96-3.
What is the molecular formula of N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide?
The molecular formula of N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide is C14H17N3O3S.
What is the molecular weight of N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide?
The molecular weight of N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide is 307.10 g/mol.
Where can I buy N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide?
You can request a quote for N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-nitrophenyl)carbamothioyl]cyclohexanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.