UPCMLD0ENAT5753094:001
TL;DR: UPCMLD0ENAT5753094:001 (CAS 951389-94-9) is a chemical compound with molecular formula C18H16BrN3O2 and molecular weight 385.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Also Known As: UPCMLD0ENAT5753094:001, BAS 00404714, (E)-4-((5-bromo-2-hydroxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-[(E)-[(5-bromo-2-hydroxyphenyl)methylidene]amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, F0777-0157
| Molecular Formula | C18H16BrN3O2 |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | 3.70312 |
| Topological Polar Surface Area | 59.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.0426 |
| Heavy Atoms | 24 |
| Complexity | 971.91925 |
Chemical Identifiers
| CAS Number | 951389-94-9 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=C(C=CC(=C3)Br)O |
Product Overview
UPCMLD0ENAT5753094:001 (CAS 951389-94-9), with molecular formula C18H16BrN3O2 and molecular weight 385.04 g/mol. IUPAC: 4-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one.
Chemical Property Profile of UPCMLD0ENAT5753094:001
Property Insights of UPCMLD0ENAT5753094:001
The XLogP value of 3.70312 indicates that UPCMLD0ENAT5753094:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.52 Ų, UPCMLD0ENAT5753094:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT5753094:001 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 UPCMLD0ENAT5753094:001?
The CAS number of UPCMLD0ENAT5753094:001 is 951389-94-9.
What is the molecular formula of UPCMLD0ENAT5753094:001?
The molecular formula of UPCMLD0ENAT5753094:001 is C18H16BrN3O2.
What is the molecular weight of UPCMLD0ENAT5753094:001?
The molecular weight of UPCMLD0ENAT5753094:001 is 385.04 g/mol.
Where can I buy UPCMLD0ENAT5753094:001?
You can request a quote for UPCMLD0ENAT5753094:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5753094:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5753094:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.