C20H17Cl2N5OS
TL;DR: C20H17Cl2N5OS (CAS 848916-87-0) is a chemical compound with molecular formula C20H17Cl2N5OS and molecular weight 445.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6Z)-6-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-{[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-ethyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (Z)-6-((1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C20H17Cl2N5OS |
|---|---|
| Molecular Weight | 445.05 g/mol |
| LogP | 5.43011 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 445.0531 |
| Heavy Atoms | 29 |
| Complexity | 1161.8617 |
Chemical Identifiers
| CAS Number | 848916-87-0 |
|---|---|
| SMILES | CCC1=NN2C(=N)/C(=C/C3=C(N(C(=C3)C)C4=CC(=C(C=C4)Cl)Cl)C)/C(=O)N=C2S1 |
Product Overview
C20H17Cl2N5OS (CAS 848916-87-0), with molecular formula C20H17Cl2N5OS and molecular weight 445.05 g/mol. IUPAC: (6Z)-6-[[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of C20H17Cl2N5OS
Property Insights of C20H17Cl2N5OS
The XLogP value of 5.43011 indicates that C20H17Cl2N5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.81 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H17Cl2N5OS. Following Lipinski's Rule of Five, C20H17Cl2N5OS has 1 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 C20H17Cl2N5OS?
The CAS number of C20H17Cl2N5OS is 848916-87-0.
What is the molecular formula of C20H17Cl2N5OS?
The molecular formula of C20H17Cl2N5OS is C20H17Cl2N5OS.
What is the molecular weight of C20H17Cl2N5OS?
The molecular weight of C20H17Cl2N5OS is 445.05 g/mol.
Where can I buy C20H17Cl2N5OS?
You can request a quote for C20H17Cl2N5OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H17Cl2N5OS?
Yes, KEHONG BIO provides custom synthesis services for C20H17Cl2N5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.