UPCMLD0ENAT0505-5688:001
TL;DR: UPCMLD0ENAT0505-5688:001 (CAS 379223-65-1) is a chemical compound with molecular formula C22H18N4O5 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: UPCMLD0ENAT0505-5688:001, AB00110295-01, 5-[[3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione, 5-[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C22H18N4O5 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 2.3059 |
| Topological Polar Surface Area | 111.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.12772 |
| Heavy Atoms | 31 |
| Complexity | 1191.8942 |
Chemical Identifiers
| CAS Number | 379223-65-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=O)NC3=O)C4=CC=CC=C4)OC |
Product Overview
UPCMLD0ENAT0505-5688:001 (CAS 379223-65-1), with molecular formula C22H18N4O5 and molecular weight 418.13 g/mol. IUPAC: 5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of UPCMLD0ENAT0505-5688:001
Property Insights of UPCMLD0ENAT0505-5688:001
The XLogP value of 2.3059 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT0505-5688:001. The TPSA of 111.55 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0505-5688:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0505-5688:001 has 2 hydrogen bond donor(s) and 6 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 UPCMLD0ENAT0505-5688:001?
The CAS number of UPCMLD0ENAT0505-5688:001 is 379223-65-1.
What is the molecular formula of UPCMLD0ENAT0505-5688:001?
The molecular formula of UPCMLD0ENAT0505-5688:001 is C22H18N4O5.
What is the molecular weight of UPCMLD0ENAT0505-5688:001?
The molecular weight of UPCMLD0ENAT0505-5688:001 is 418.13 g/mol.
Where can I buy UPCMLD0ENAT0505-5688:001?
You can request a quote for UPCMLD0ENAT0505-5688:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0505-5688:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0505-5688:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.