BIM-0040082.P001
TL;DR: BIM-0040082.P001 (CAS 5990-01-2) 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.
(5E)-1-(3-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0040082.P001, (5E)-1-(3-bromophenyl)-5-(4-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-1-(3-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C18H13BrN2O3S |
|---|---|
| Molecular Weight | 415.98 g/mol |
| LogP | 3.289 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 415.98303 |
| Heavy Atoms | 25 |
| Complexity | 893.4491 |
Chemical Identifiers
| CAS Number | 5990-01-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br |
Product Overview
BIM-0040082.P001 (CAS 5990-01-2), with molecular formula C18H13BrN2O3S and molecular weight 415.98 g/mol. IUPAC: (5E)-1-(3-bromophenyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0040082.P001
Property Insights of BIM-0040082.P001
The XLogP value of 3.289 indicates that BIM-0040082.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, BIM-0040082.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0040082.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-0040082.P001?
The CAS number of BIM-0040082.P001 is 5990-01-2.
What is the molecular formula of BIM-0040082.P001?
The molecular formula of BIM-0040082.P001 is C18H13BrN2O3S.
What is the molecular weight of BIM-0040082.P001?
The molecular weight of BIM-0040082.P001 is 415.98 g/mol.
Where can I buy BIM-0040082.P001?
You can request a quote for BIM-0040082.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0040082.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0040082.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.