BIM-0005532.P001
TL;DR: BIM-0005532.P001 (CAS 347374-91-8) is a chemical compound with molecular formula C19H14BrN3O5S and molecular weight 474.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-bromo-2-methylphenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0005532.P001, (5E)-1-(4-bromo-2-methylphenyl)-5-(4-methoxy-3-nitrobenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(4-bromo-2-methylphenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C19H14BrN3O5S |
|---|---|
| Molecular Weight | 474.98 g/mol |
| LogP | 3.50562 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 474.98376 |
| Heavy Atoms | 29 |
| Complexity | 1099.2473 |
Chemical Identifiers
| CAS Number | 347374-91-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC)[N+](=O)[O-])/C(=O)NC2=S |
Product Overview
BIM-0005532.P001 (CAS 347374-91-8), with molecular formula C19H14BrN3O5S and molecular weight 474.98 g/mol. IUPAC: (5E)-1-(4-bromo-2-methylphenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0005532.P001
Property Insights of BIM-0005532.P001
The XLogP value of 3.50562 indicates that BIM-0005532.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0005532.P001. Following Lipinski's Rule of Five, BIM-0005532.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-0005532.P001?
The CAS number of BIM-0005532.P001 is 347374-91-8.
What is the molecular formula of BIM-0005532.P001?
The molecular formula of BIM-0005532.P001 is C19H14BrN3O5S.
What is the molecular weight of BIM-0005532.P001?
The molecular weight of BIM-0005532.P001 is 474.98 g/mol.
Where can I buy BIM-0005532.P001?
You can request a quote for BIM-0005532.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0005532.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0005532.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.