![(5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione structure](/static/products/116/1164557-75-8.png)
(5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
TL;DR: (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 1164557-75-8) is a chemical compound with molecular formula C20H24ClN3O2S and molecular weight 405.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-sec-Butyl-5-[1-[1-(3-chloro-propyl)-2,3-dihydro-1H-indol-5-yl]-meth-(E)-ylidene]-2-thioxo-dihydro-pyrimidine-4,6-dione, (5E)-1-(butan-2-yl)-5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione, (5E)-1-butan-2-yl-5-[[1-(3-chloranylpropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-5-[[1-(3-chloropropyl)indolin-5-yl]methylene]-1-sec-butyl-2-thioxo-hexahydropyrimidine-4,6-quinone
| Molecular Formula | C20H24ClN3O2S |
|---|---|
| Molecular Weight | 405.13 g/mol |
| LogP | 3.1032 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.12778 |
| Heavy Atoms | 27 |
| Complexity | 808.4166 |
Chemical Identifiers
| CAS Number | 1164557-75-8 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C/C2=CC3=C(C=C2)N(CC3)CCCCl)/C(=O)NC1=S |
Product Overview
(5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione (CAS 1164557-75-8), with molecular formula C20H24ClN3O2S and molecular weight 405.13 g/mol. IUPAC: (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Property Insights of (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
The XLogP value of 3.1032 indicates that (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.65 Ų, (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione 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 (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The CAS number of (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 1164557-75-8.
What is the molecular formula of (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular formula of (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is C20H24ClN3O2S.
What is the molecular weight of (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
The molecular weight of (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is 405.13 g/mol.
Where can I buy (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
You can request a quote for (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-butan-2-yl-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.