RefChem:340084
TL;DR: RefChem:340084 (CAS 27185-21-3) is a chemical compound with molecular formula C21H21N5O4 and molecular weight 407.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-N-methyloxamide
Also Known As: Ethanediamide, N-(4-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)phenyl)-N'-methyl-, n-{4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)carbamoyl]phenyl}-n'-methylethanediamide, N'-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-N-methyloxamide, N-{4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]phenyl}(methylamino)(oxo)ethanimidic acid, N-{4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]phenyl}-2-(methylamino)-2-oxoethanimidic acid
| Molecular Formula | C21H21N5O4 |
|---|---|
| Molecular Weight | 407.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.15936 |
| Heavy Atoms | 30 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 27185-21-3 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C(=O)NC |
| InChIKey | OBZDFTDJMWHNLW-UHFFFAOYSA-N |
Product Overview
RefChem:340084 (CAS 27185-21-3), with molecular formula C21H21N5O4 and molecular weight 407.16 g/mol. IUPAC: N'-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-N-methyloxamide.
Chemical Property Profile of RefChem:340084
Property Insights of RefChem:340084
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:340084. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:340084. Following Lipinski's Rule of Five, RefChem:340084 has 3 hydrogen bond donor(s) and 5 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 RefChem:340084?
The CAS number of RefChem:340084 is 27185-21-3.
What is the molecular formula of RefChem:340084?
The molecular formula of RefChem:340084 is C21H21N5O4.
What is the molecular weight of RefChem:340084?
The molecular weight of RefChem:340084 is 407.16 g/mol.
Where can I buy RefChem:340084?
You can request a quote for RefChem:340084 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:340084?
Yes, KEHONG BIO provides custom synthesis services for RefChem:340084 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.