UPCMLD0ENAT5440409:001
TL;DR: UPCMLD0ENAT5440409:001 (CAS 1164454-41-4) is a chemical compound with molecular formula C16H14ClN3O2 and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-chlorofuran-2-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: UPCMLD0ENAT5440409:001, 4-{[(1E)-(5-chloro-2-furyl)methylene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-[(5-chlorofuran-2-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one, 4-[(E)-[(5-chlorofuran-2-yl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, (E)-4-(((5-chlorofuran-2-yl)methylene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
| Molecular Formula | C16H14ClN3O2 |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.07745 |
| Heavy Atoms | 22 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 1164454-41-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(O3)Cl |
| InChIKey | RXDIGTFKVBTHBJ-UHFFFAOYSA-N |
Product Overview
UPCMLD0ENAT5440409:001 (CAS 1164454-41-4), with molecular formula C16H14ClN3O2 and molecular weight 315.08 g/mol. IUPAC: 4-[(5-chlorofuran-2-yl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of UPCMLD0ENAT5440409:001
Property Insights of UPCMLD0ENAT5440409:001
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT5440409:001. With a topological polar surface area (TPSA) of 49.1 Ų, UPCMLD0ENAT5440409:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5440409:001 has 0 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 UPCMLD0ENAT5440409:001?
The CAS number of UPCMLD0ENAT5440409:001 is 1164454-41-4.
What is the molecular formula of UPCMLD0ENAT5440409:001?
The molecular formula of UPCMLD0ENAT5440409:001 is C16H14ClN3O2.
What is the molecular weight of UPCMLD0ENAT5440409:001?
The molecular weight of UPCMLD0ENAT5440409:001 is 315.08 g/mol.
Where can I buy UPCMLD0ENAT5440409:001?
You can request a quote for UPCMLD0ENAT5440409:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5440409:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5440409:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.