US10849901, Compound 118
TL;DR: US10849901, Compound 118 (CAS 428834-54-2) is a chemical compound with molecular formula C21H13Cl2N3O2S and molecular weight 441.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-chlorophenyl)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: US10849901, Compound 118, (5E)-1-(3-chlorophenyl)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, (5E)-1-(3-chlorophenyl)-5-{[1-(4-chlorophenyl)-1H-pyrrol-2-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 1-(3-CHLOROPHENYL)-5-{(E)-1-[1-(4-CHLOROPHENYL)-1H-PYRROL-2-YL]METHYLIDENE}-2-THIOXODIHYDRO-4,6(1H,5H)-PYRIMIDINEDIONE
| Molecular Formula | C21H13Cl2N3O2S |
|---|---|
| Molecular Weight | 441.01 g/mol |
| LogP | 4.6154 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 441.01056 |
| Heavy Atoms | 29 |
| Complexity | 1168.6791 |
Chemical Identifiers
| CAS Number | 428834-54-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)N2C(=O)/C(=C/C3=CC=CN3C4=CC=C(C=C4)Cl)/C(=O)NC2=S |
Product Overview
US10849901, Compound 118 (CAS 428834-54-2), with molecular formula C21H13Cl2N3O2S and molecular weight 441.01 g/mol. IUPAC: (5E)-1-(3-chlorophenyl)-5-[[1-(4-chlorophenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of US10849901, Compound 118
Property Insights of US10849901, Compound 118
The XLogP value of 4.6154 indicates that US10849901, Compound 118 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.34 Ų, US10849901, Compound 118 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, US10849901, Compound 118 has 1 hydrogen bond donor(s) and 3 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 US10849901, Compound 118?
The CAS number of US10849901, Compound 118 is 428834-54-2.
What is the molecular formula of US10849901, Compound 118?
The molecular formula of US10849901, Compound 118 is C21H13Cl2N3O2S.
What is the molecular weight of US10849901, Compound 118?
The molecular weight of US10849901, Compound 118 is 441.01 g/mol.
Where can I buy US10849901, Compound 118?
You can request a quote for US10849901, Compound 118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for US10849901, Compound 118?
Yes, KEHONG BIO provides custom synthesis services for US10849901, Compound 118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.