![5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide structure](/static/products/4296/429652-17-5.webp)
5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide
TL;DR: 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide (CAS 429652-17-5) is a chemical compound with molecular formula C18H12BrN3O3S and molecular weight 428.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide
Also Known As: 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide, 5-bromo-N-[(4-nitrophenyl)thiocarbamoyl]naphthalene-1-carboxamide
| Molecular Formula | C18H12BrN3O3S |
|---|---|
| Molecular Weight | 428.98 g/mol |
| LogP | 4.6373 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 428.97827 |
| Heavy Atoms | 26 |
| Complexity | 1021.87 |
Chemical Identifiers
| CAS Number | 429652-17-5 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide (CAS 429652-17-5), with molecular formula C18H12BrN3O3S and molecular weight 428.98 g/mol. IUPAC: 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide.
Chemical Property Profile of 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide
Property Insights of 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide
The XLogP value of 4.6373 indicates that 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide. Following Lipinski's Rule of Five, 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide 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 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide?
The CAS number of 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide is 429652-17-5.
What is the molecular formula of 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide?
The molecular formula of 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide is C18H12BrN3O3S.
What is the molecular weight of 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide?
The molecular weight of 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide is 428.98 g/mol.
Where can I buy 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide?
You can request a quote for 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-[(4-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.