BAS 00899398
TL;DR: BAS 00899398 (CAS 4438-80-6) is a chemical compound with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BAS 00899398, A1899/0079757, 5-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione, 5-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C16H14N4O4 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | 0.23382 |
| Topological Polar Surface Area | 102.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.1015 |
| Heavy Atoms | 24 |
| Complexity | 928.4473 |
Chemical Identifiers
| CAS Number | 4438-80-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=C3C(=O)NC(=O)NC3=O |
Product Overview
BAS 00899398 (CAS 4438-80-6), with molecular formula C16H14N4O4 and molecular weight 326.10 g/mol. IUPAC: 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BAS 00899398
Property Insights of BAS 00899398
The XLogP value of 0.23382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00899398. The TPSA of 102.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00899398. Following Lipinski's Rule of Five, BAS 00899398 has 2 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 BAS 00899398?
The CAS number of BAS 00899398 is 4438-80-6.
What is the molecular formula of BAS 00899398?
The molecular formula of BAS 00899398 is C16H14N4O4.
What is the molecular weight of BAS 00899398?
The molecular weight of BAS 00899398 is 326.10 g/mol.
Where can I buy BAS 00899398?
You can request a quote for BAS 00899398 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00899398?
Yes, KEHONG BIO provides custom synthesis services for BAS 00899398 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.