BAS 00887126
TL;DR: BAS 00887126 (CAS 330632-82-1) is a chemical compound with molecular formula C23H18N4O4S and molecular weight 446.10 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-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BAS 00887126, (5E)-5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (E)-5-((2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl)methylene)-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-{[2,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRROL-3-YL]METHYLIDENE}-1-PHENYL-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE
| Molecular Formula | C23H18N4O4S |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 3.83364 |
| Topological Polar Surface Area | 97.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1049 |
| Heavy Atoms | 32 |
| Complexity | 1310.7855 |
Chemical Identifiers
| CAS Number | 330632-82-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC=C2)[N+](=O)[O-])C)/C=C/3\C(=O)NC(=S)N(C3=O)C4=CC=CC=C4 |
Product Overview
BAS 00887126 (CAS 330632-82-1), with molecular formula C23H18N4O4S and molecular weight 446.10 g/mol. IUPAC: (5E)-5-[[2,5-dimethyl-1-(3-nitrophenyl)pyrrol-3-yl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BAS 00887126
Property Insights of BAS 00887126
The XLogP value of 3.83364 indicates that BAS 00887126 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.48 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00887126. Following Lipinski's Rule of Five, BAS 00887126 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 00887126?
The CAS number of BAS 00887126 is 330632-82-1.
What is the molecular formula of BAS 00887126?
The molecular formula of BAS 00887126 is C23H18N4O4S.
What is the molecular weight of BAS 00887126?
The molecular weight of BAS 00887126 is 446.10 g/mol.
Where can I buy BAS 00887126?
You can request a quote for BAS 00887126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00887126?
Yes, KEHONG BIO provides custom synthesis services for BAS 00887126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.