5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide
TL;DR: 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide (CAS 428859-43-2) is a chemical compound with molecular formula C18H14BrN3OS and molecular weight 399.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide
Also Known As: AB00111485-01, N-(5-bromo-1-naphthoyl)-N'-(3-pyridinylmethyl)thiourea, 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide
| Molecular Formula | C18H14BrN3OS |
|---|---|
| Molecular Weight | 399.00 g/mol |
| LogP | 3.8018 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.0041 |
| Heavy Atoms | 24 |
| Complexity | 899.1643 |
Chemical Identifiers
| CAS Number | 428859-43-2 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2Br)C(=C1)C(=O)NC(=S)NCC3=CN=CC=C3 |
Product Overview
5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide (CAS 428859-43-2), with molecular formula C18H14BrN3OS and molecular weight 399.00 g/mol. IUPAC: 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide.
Chemical Property Profile of 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide
Property Insights of 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide
The XLogP value of 3.8018 indicates that 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide has 2 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 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide?
The CAS number of 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide is 428859-43-2.
What is the molecular formula of 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide?
The molecular formula of 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide is C18H14BrN3OS.
What is the molecular weight of 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide?
The molecular weight of 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide is 399.00 g/mol.
Where can I buy 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide?
You can request a quote for 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)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-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-(pyridin-3-ylmethylcarbamothioyl)naphthalene-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.