IDI1_021960
TL;DR: IDI1_021960 (CAS 444675-50-7) is a chemical compound with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: IDI1_021960, BRD-K28774412-001-01-3, (5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-{[1-(2-METHOXYETHYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]METHYLIDENE}-1-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE, (E)-1-allyl-5-((1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C17H21N3O3S |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | 1.56404 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.13037 |
| Heavy Atoms | 24 |
| Complexity | 733.6844 |
Chemical Identifiers
| CAS Number | 444675-50-7 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)/C=C/2\C(=O)NC(=S)N(C2=O)CC=C |
Product Overview
IDI1_021960 (CAS 444675-50-7), with molecular formula C17H21N3O3S and molecular weight 347.13 g/mol. IUPAC: (5E)-5-[[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of IDI1_021960
Property Insights of IDI1_021960
The XLogP value of 1.56404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_021960. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_021960. Following Lipinski's Rule of Five, IDI1_021960 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 IDI1_021960?
The CAS number of IDI1_021960 is 444675-50-7.
What is the molecular formula of IDI1_021960?
The molecular formula of IDI1_021960 is C17H21N3O3S.
What is the molecular weight of IDI1_021960?
The molecular weight of IDI1_021960 is 347.13 g/mol.
Where can I buy IDI1_021960?
You can request a quote for IDI1_021960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_021960?
Yes, KEHONG BIO provides custom synthesis services for IDI1_021960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.