BIM-0044612.P001
TL;DR: BIM-0044612.P001 (CAS 6078-82-6) is a chemical compound with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: BIM-0044612.P001, (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(3,4-dimethoxybenzylidene)-1-methyl-3-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
| Molecular Formula | C21H20N2O4S |
|---|---|
| Molecular Weight | 396.11 g/mol |
| LogP | 3.18572 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.11438 |
| Heavy Atoms | 28 |
| Complexity | 982.40015 |
Chemical Identifiers
| CAS Number | 6078-82-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/C(=O)N(C2=S)C |
Product Overview
BIM-0044612.P001 (CAS 6078-82-6), with molecular formula C21H20N2O4S and molecular weight 396.11 g/mol. IUPAC: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-methyl-3-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of BIM-0044612.P001
Property Insights of BIM-0044612.P001
The XLogP value of 3.18572 indicates that BIM-0044612.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, BIM-0044612.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0044612.P001 has 0 hydrogen bond donor(s) and 5 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-0044612.P001?
The CAS number of BIM-0044612.P001 is 6078-82-6.
What is the molecular formula of BIM-0044612.P001?
The molecular formula of BIM-0044612.P001 is C21H20N2O4S.
What is the molecular weight of BIM-0044612.P001?
The molecular weight of BIM-0044612.P001 is 396.11 g/mol.
Where can I buy BIM-0044612.P001?
You can request a quote for BIM-0044612.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044612.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044612.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.