5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 841206-98-2) is a chemical compound with molecular formula C28H24ClN3O2S and molecular weight 501.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-{[1-(3-chloropropyl)-2,3-dihydro-1H-indol-5-yl]methylidene}-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C28H24ClN3O2S |
|---|---|
| Molecular Weight | 501.13 g/mol |
| LogP | 5.4263 |
| Topological Polar Surface Area | 43.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.12778 |
| Heavy Atoms | 35 |
| Complexity | 1246.7924 |
Chemical Identifiers
| CAS Number | 841206-98-2 |
|---|---|
| SMILES | C1CN(C2=C1C=C(C=C2)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)CCCCl |
Product Overview
5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 841206-98-2), with molecular formula C28H24ClN3O2S and molecular weight 501.13 g/mol. IUPAC: 5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 5.4263 indicates that 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.86 Ų, 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 841206-98-2.
What is the molecular formula of 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C28H24ClN3O2S.
What is the molecular weight of 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 501.13 g/mol.
Where can I buy 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-((1-(3-chloropropyl)indolin-5-yl)methylene)-1,3-diphenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.