AN-465/40743461
TL;DR: AN-465/40743461 (CAS 429648-65-7) is a chemical compound with molecular formula C18H16BrN5O2S and molecular weight 445.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]pyridine-3-carboxamide
Also Known As: AN-465/40743461, 5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]pyridine-3-carboxamide, 1-(5-BROMOPYRIDINE-3-CARBONYL)-3-(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)THIOUREA, 5-bromo-N-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]carbonothioyl}nicotinamide, N-[(5-bromo-3-pyridinyl)carbonyl]-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
| Molecular Formula | C18H16BrN5O2S |
|---|---|
| Molecular Weight | 445.02 g/mol |
| LogP | 2.76872 |
| Topological Polar Surface Area | 80.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.0208 |
| Heavy Atoms | 27 |
| Complexity | 1075.1012 |
Chemical Identifiers
| CAS Number | 429648-65-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br |
Product Overview
AN-465/40743461 (CAS 429648-65-7), with molecular formula C18H16BrN5O2S and molecular weight 445.02 g/mol. IUPAC: 5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]pyridine-3-carboxamide.
Chemical Property Profile of AN-465/40743461
Property Insights of AN-465/40743461
The XLogP value of 2.76872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-465/40743461. The TPSA of 80.95 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/40743461. Following Lipinski's Rule of Five, AN-465/40743461 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 AN-465/40743461?
The CAS number of AN-465/40743461 is 429648-65-7.
What is the molecular formula of AN-465/40743461?
The molecular formula of AN-465/40743461 is C18H16BrN5O2S.
What is the molecular weight of AN-465/40743461?
The molecular weight of AN-465/40743461 is 445.02 g/mol.
Where can I buy AN-465/40743461?
You can request a quote for AN-465/40743461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/40743461?
Yes, KEHONG BIO provides custom synthesis services for AN-465/40743461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.