BAS 00887135
TL;DR: BAS 00887135 (CAS 330632-91-2) is a chemical compound with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: BAS 00887135, (E)-5-((2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl)methylene)-1-(3,5-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione, (5E)-5-{[2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROL-3-YL]METHYLIDENE}-1-(3,5-DIMETHYLPHENYL)-1,3-DIAZINANE-2,4,6-TRIONE, (5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-3-(3,5-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C25H22N4O5 |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 4.28558 |
| Topological Polar Surface Area | 114.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.15903 |
| Heavy Atoms | 34 |
| Complexity | 1396.4043 |
Chemical Identifiers
| CAS Number | 330632-91-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)/C(=C/C3=C(N(C(=C3)C)C4=CC(=CC=C4)[N+](=O)[O-])C)/C(=O)NC2=O)C |
Product Overview
BAS 00887135 (CAS 330632-91-2), with molecular formula C25H22N4O5 and molecular weight 458.16 g/mol. IUPAC: (5E)-5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylidene]-1-(3,5-dimethylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BAS 00887135
Property Insights of BAS 00887135
The XLogP value of 4.28558 indicates that BAS 00887135 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00887135. Following Lipinski's Rule of Five, BAS 00887135 has 1 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 BAS 00887135?
The CAS number of BAS 00887135 is 330632-91-2.
What is the molecular formula of BAS 00887135?
The molecular formula of BAS 00887135 is C25H22N4O5.
What is the molecular weight of BAS 00887135?
The molecular weight of BAS 00887135 is 458.16 g/mol.
Where can I buy BAS 00887135?
You can request a quote for BAS 00887135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00887135?
Yes, KEHONG BIO provides custom synthesis services for BAS 00887135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.