UPCMLD0ENAT5874162:001
TL;DR: UPCMLD0ENAT5874162:001 (CAS 536725-95-8) is a chemical compound with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(furan-2-ylmethyliminomethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: UPCMLD0ENAT5874162:001, F1201-0333, (Z)-4-(((furan-2-ylmethyl)amino)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one, 4-(furan-2-ylmethyliminomethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one, 4-{[(2-furylmethyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C16H15N3O2 |
|---|---|
| Molecular Weight | 281.12 g/mol |
| LogP | 2.68612 |
| Topological Polar Surface Area | 63.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.11642 |
| Heavy Atoms | 21 |
| Complexity | 795.9221 |
Chemical Identifiers
| CAS Number | 536725-95-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NCC3=CC=CO3 |
Product Overview
UPCMLD0ENAT5874162:001 (CAS 536725-95-8), with molecular formula C16H15N3O2 and molecular weight 281.12 g/mol. IUPAC: 4-(furan-2-ylmethyliminomethyl)-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of UPCMLD0ENAT5874162:001
Property Insights of UPCMLD0ENAT5874162:001
The XLogP value of 2.68612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5874162:001. The TPSA of 63.29 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5874162:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5874162:001 has 1 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 UPCMLD0ENAT5874162:001?
The CAS number of UPCMLD0ENAT5874162:001 is 536725-95-8.
What is the molecular formula of UPCMLD0ENAT5874162:001?
The molecular formula of UPCMLD0ENAT5874162:001 is C16H15N3O2.
What is the molecular weight of UPCMLD0ENAT5874162:001?
The molecular weight of UPCMLD0ENAT5874162:001 is 281.12 g/mol.
Where can I buy UPCMLD0ENAT5874162:001?
You can request a quote for UPCMLD0ENAT5874162:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5874162:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5874162:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.