BIM-0040406.P001
TL;DR: BIM-0040406.P001 (CAS 5998-47-0) is a chemical compound with molecular formula C15H9BrN2O2S2 and molecular weight 391.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-bromophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione
Also Known As: BIM-0040406.P001, 1-(3-bromophenyl)-5-(2-thienylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, (5E)-1-(3-bromophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione
| Molecular Formula | C15H9BrN2O2S2 |
|---|---|
| Molecular Weight | 391.93 g/mol |
| LogP | 3.3419 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.9289 |
| Heavy Atoms | 22 |
| Complexity | 799.6336 |
Chemical Identifiers
| CAS Number | 5998-47-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=CS3)/C(=O)NC2=S |
Product Overview
BIM-0040406.P001 (CAS 5998-47-0), with molecular formula C15H9BrN2O2S2 and molecular weight 391.93 g/mol. IUPAC: (5E)-1-(3-bromophenyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0040406.P001
Property Insights of BIM-0040406.P001
The XLogP value of 3.3419 indicates that BIM-0040406.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.41 Ų, BIM-0040406.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0040406.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-0040406.P001?
The CAS number of BIM-0040406.P001 is 5998-47-0.
What is the molecular formula of BIM-0040406.P001?
The molecular formula of BIM-0040406.P001 is C15H9BrN2O2S2.
What is the molecular weight of BIM-0040406.P001?
The molecular weight of BIM-0040406.P001 is 391.93 g/mol.
Where can I buy BIM-0040406.P001?
You can request a quote for BIM-0040406.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0040406.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0040406.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.