BAS 00528739
TL;DR: BAS 00528739 (CAS 314030-75-6) is a chemical compound with molecular formula C22H19N3O7 and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: BAS 00528739, BIM-0020663.P001, (5Z)-5-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, 1-Allyl-5-[3-methoxy-4-(2-nitro-benzyloxy)-benzylidene]-pyrimidine-2,4,6-trione, 1-allyl-5-[4-({2-nitrobenzyl}oxy)-3-methoxybenzylidene]-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C22H19N3O7 |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | 2.8302 |
| Topological Polar Surface Area | 128.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.1223 |
| Heavy Atoms | 32 |
| Complexity | 1140.0944 |
Chemical Identifiers
| CAS Number | 314030-75-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=O)N(C2=O)CC=C)OCC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
BAS 00528739 (CAS 314030-75-6), with molecular formula C22H19N3O7 and molecular weight 437.12 g/mol. IUPAC: (5Z)-5-[[3-methoxy-4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BAS 00528739
Property Insights of BAS 00528739
The XLogP value of 2.8302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00528739. The TPSA of 128.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00528739. Following Lipinski's Rule of Five, BAS 00528739 has 1 hydrogen bond donor(s) and 7 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 00528739?
The CAS number of BAS 00528739 is 314030-75-6.
What is the molecular formula of BAS 00528739?
The molecular formula of BAS 00528739 is C22H19N3O7.
What is the molecular weight of BAS 00528739?
The molecular weight of BAS 00528739 is 437.12 g/mol.
Where can I buy BAS 00528739?
You can request a quote for BAS 00528739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00528739?
Yes, KEHONG BIO provides custom synthesis services for BAS 00528739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.