BIM-0036168.P001
TL;DR: BIM-0036168.P001 (CAS 339571-12-9) is a chemical compound with molecular formula C18H12ClN3O6 and molecular weight 401.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0036168.P001, pyrimidine-2,4,6(1H,3H,5H)-trione, 3, A1953/0082126, (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (5Z)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H12ClN3O6 |
|---|---|
| Molecular Weight | 401.04 g/mol |
| LogP | 3.156 |
| Topological Polar Surface Area | 122.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.04147 |
| Heavy Atoms | 28 |
| Complexity | 1055.3405 |
Chemical Identifiers
| CAS Number | 339571-12-9 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=C(O2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)/C(=O)NC1=O |
Product Overview
BIM-0036168.P001 (CAS 339571-12-9), with molecular formula C18H12ClN3O6 and molecular weight 401.04 g/mol. IUPAC: (5Z)-5-[[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of BIM-0036168.P001
Property Insights of BIM-0036168.P001
The XLogP value of 3.156 indicates that BIM-0036168.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0036168.P001. Following Lipinski's Rule of Five, BIM-0036168.P001 has 1 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 BIM-0036168.P001?
The CAS number of BIM-0036168.P001 is 339571-12-9.
What is the molecular formula of BIM-0036168.P001?
The molecular formula of BIM-0036168.P001 is C18H12ClN3O6.
What is the molecular weight of BIM-0036168.P001?
The molecular weight of BIM-0036168.P001 is 401.04 g/mol.
Where can I buy BIM-0036168.P001?
You can request a quote for BIM-0036168.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0036168.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0036168.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.