BIM-0039917.P001
TL;DR: BIM-0039917.P001 (CAS 5976-48-7) is a chemical compound with molecular formula C18H13BrN2O3S and molecular weight 415.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0039917.P001, (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H13BrN2O3S |
|---|---|
| Molecular Weight | 415.98 g/mol |
| LogP | 3.5218 |
| Topological Polar Surface Area | 62.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.98303 |
| Heavy Atoms | 25 |
| Complexity | 899.2999 |
Chemical Identifiers
| CAS Number | 5976-48-7 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=C(O2)C3=CC=C(C=C3)Br)/C(=O)NC1=S |
Product Overview
BIM-0039917.P001 (CAS 5976-48-7), with molecular formula C18H13BrN2O3S and molecular weight 415.98 g/mol. IUPAC: (5Z)-5-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0039917.P001
Property Insights of BIM-0039917.P001
The XLogP value of 3.5218 indicates that BIM-0039917.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.55 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039917.P001. Following Lipinski's Rule of Five, BIM-0039917.P001 has 1 hydrogen bond donor(s) and 4 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-0039917.P001?
The CAS number of BIM-0039917.P001 is 5976-48-7.
What is the molecular formula of BIM-0039917.P001?
The molecular formula of BIM-0039917.P001 is C18H13BrN2O3S.
What is the molecular weight of BIM-0039917.P001?
The molecular weight of BIM-0039917.P001 is 415.98 g/mol.
Where can I buy BIM-0039917.P001?
You can request a quote for BIM-0039917.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039917.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039917.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.