BIM-0048664.P001
TL;DR: BIM-0048664.P001 (CAS 340302-64-9) is a chemical compound with molecular formula C21H17BrN2O4S and molecular weight 472.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0048664.P001, (5E)-1-(4-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(4-bromophenyl)-5-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C21H17BrN2O4S |
|---|---|
| Molecular Weight | 472.01 g/mol |
| LogP | 3.8538 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.00925 |
| Heavy Atoms | 29 |
| Complexity | 1017.8412 |
Chemical Identifiers
| CAS Number | 340302-64-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Br)OCC=C |
Product Overview
BIM-0048664.P001 (CAS 340302-64-9), with molecular formula C21H17BrN2O4S and molecular weight 472.01 g/mol. IUPAC: (5E)-1-(4-bromophenyl)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0048664.P001
Property Insights of BIM-0048664.P001
The XLogP value of 3.8538 indicates that BIM-0048664.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0048664.P001. Following Lipinski's Rule of Five, BIM-0048664.P001 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 BIM-0048664.P001?
The CAS number of BIM-0048664.P001 is 340302-64-9.
What is the molecular formula of BIM-0048664.P001?
The molecular formula of BIM-0048664.P001 is C21H17BrN2O4S.
What is the molecular weight of BIM-0048664.P001?
The molecular weight of BIM-0048664.P001 is 472.01 g/mol.
Where can I buy BIM-0048664.P001?
You can request a quote for BIM-0048664.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0048664.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0048664.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.