UPCMLD0ENAT5874166:001
TL;DR: UPCMLD0ENAT5874166:001 (CAS 536722-76-6) is a chemical compound with molecular formula C17H15BrN4O3S and molecular weight 434.00 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]furan-2-carboxamide
Also Known As: UPCMLD0ENAT5874166:001, 1-(5-bromofuran-2-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)carbamothioyl)furan-2-carboxamide, 5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]furan-2-carboxamide, 4-[3-(5-bromo-2-furoyl)thioureido]-1-methyl-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C17H15BrN4O3S |
|---|---|
| Molecular Weight | 434.00 g/mol |
| LogP | 2.96672 |
| Topological Polar Surface Area | 81.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 434.00482 |
| Heavy Atoms | 26 |
| Complexity | 1036.2079 |
Chemical Identifiers
| CAS Number | 536722-76-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(O3)Br |
Product Overview
UPCMLD0ENAT5874166:001 (CAS 536722-76-6), with molecular formula C17H15BrN4O3S and molecular weight 434.00 g/mol. IUPAC: 5-bromo-N-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioyl]furan-2-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5874166:001
Property Insights of UPCMLD0ENAT5874166:001
The XLogP value of 2.96672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5874166:001. The TPSA of 81.2 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5874166:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5874166:001 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 UPCMLD0ENAT5874166:001?
The CAS number of UPCMLD0ENAT5874166:001 is 536722-76-6.
What is the molecular formula of UPCMLD0ENAT5874166:001?
The molecular formula of UPCMLD0ENAT5874166:001 is C17H15BrN4O3S.
What is the molecular weight of UPCMLD0ENAT5874166:001?
The molecular weight of UPCMLD0ENAT5874166:001 is 434.00 g/mol.
Where can I buy UPCMLD0ENAT5874166:001?
You can request a quote for UPCMLD0ENAT5874166:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5874166:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5874166:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.