5-25-03-00331 (Beilstein Handbook Reference)
TL;DR: 5-25-03-00331 (Beilstein Handbook Reference) (CAS 40747-63-5) is a chemical compound with molecular formula C18H15BrN2O3S and molecular weight 418.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(4-bromophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Also Known As: 5-25-03-00331 (Beilstein Handbook Reference), 3-(4-Bromophenyl)-5-((2,5-dimethoxyphenyl)methylene)-2-thioxo-4-imidazolidinone, 4-Imidazolidinone, 3-(4-bromophenyl)-5-((2,5-dimethoxyphenyl)methylene)-2-thioxo-, (5Z)-3-(4-bromophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one, RefChem:1070912
| Molecular Formula | C18H15BrN2O3S |
|---|---|
| Molecular Weight | 418.00 g/mol |
| LogP | 3.7285 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.9987 |
| Heavy Atoms | 25 |
| Complexity | 865.12494 |
Chemical Identifiers
| CAS Number | 40747-63-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=C\2/C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br |
Product Overview
5-25-03-00331 (Beilstein Handbook Reference) (CAS 40747-63-5), with molecular formula C18H15BrN2O3S and molecular weight 418.00 g/mol. IUPAC: (5Z)-3-(4-bromophenyl)-5-[(2,5-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
Chemical Property Profile of 5-25-03-00331 (Beilstein Handbook Reference)
Property Insights of 5-25-03-00331 (Beilstein Handbook Reference)
The XLogP value of 3.7285 indicates that 5-25-03-00331 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 5-25-03-00331 (Beilstein Handbook Reference) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-25-03-00331 (Beilstein Handbook Reference) 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 5-25-03-00331 (Beilstein Handbook Reference)?
The CAS number of 5-25-03-00331 (Beilstein Handbook Reference) is 40747-63-5.
What is the molecular formula of 5-25-03-00331 (Beilstein Handbook Reference)?
The molecular formula of 5-25-03-00331 (Beilstein Handbook Reference) is C18H15BrN2O3S.
What is the molecular weight of 5-25-03-00331 (Beilstein Handbook Reference)?
The molecular weight of 5-25-03-00331 (Beilstein Handbook Reference) is 418.00 g/mol.
Where can I buy 5-25-03-00331 (Beilstein Handbook Reference)?
You can request a quote for 5-25-03-00331 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-03-00331 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-03-00331 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.