IDI1_021916
TL;DR: IDI1_021916 (CAS 1164460-86-9) is a chemical compound with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: IDI1_021916, BRD-K53656260-001-01-3, (5E)-5-{[2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (E)-1-allyl-5-((2,5-dimethyl-1-(pyridin-2-yl)-1H-pyrrol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, (5E)-5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C19H18N4O2S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 2.30184 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.11505 |
| Heavy Atoms | 26 |
| Complexity | 943.9488 |
Chemical Identifiers
| CAS Number | 1164460-86-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=N2)C)/C=C/3\C(=O)NC(=S)N(C3=O)CC=C |
Product Overview
IDI1_021916 (CAS 1164460-86-9), with molecular formula C19H18N4O2S and molecular weight 366.12 g/mol. IUPAC: (5E)-5-[(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of IDI1_021916
Property Insights of IDI1_021916
The XLogP value of 2.30184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IDI1_021916. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for IDI1_021916. Following Lipinski's Rule of Five, IDI1_021916 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_021916?
The CAS number of IDI1_021916 is 1164460-86-9.
What is the molecular formula of IDI1_021916?
The molecular formula of IDI1_021916 is C19H18N4O2S.
What is the molecular weight of IDI1_021916?
The molecular weight of IDI1_021916 is 366.12 g/mol.
Where can I buy IDI1_021916?
You can request a quote for IDI1_021916 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IDI1_021916?
Yes, KEHONG BIO provides custom synthesis services for IDI1_021916 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.