C23H17ClN6OS
TL;DR: C23H17ClN6OS (CAS 846027-47-2) is a chemical compound with molecular formula C23H17ClN6OS and molecular weight 460.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, (6E)-6-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(pyridin-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C23H17ClN6OS |
|---|---|
| Molecular Weight | 460.09 g/mol |
| LogP | 4.81001 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 460.0873 |
| Heavy Atoms | 32 |
| Complexity | 1355.1284 |
Chemical Identifiers
| CAS Number | 846027-47-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C5=CN=CC=C5 |
Product Overview
C23H17ClN6OS (CAS 846027-47-2), with molecular formula C23H17ClN6OS and molecular weight 460.09 g/mol. IUPAC: (6E)-6-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of C23H17ClN6OS
Property Insights of C23H17ClN6OS
The XLogP value of 4.81001 indicates that C23H17ClN6OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H17ClN6OS. Following Lipinski's Rule of Five, C23H17ClN6OS has 1 hydrogen bond donor(s) and 5 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 C23H17ClN6OS?
The CAS number of C23H17ClN6OS is 846027-47-2.
What is the molecular formula of C23H17ClN6OS?
The molecular formula of C23H17ClN6OS is C23H17ClN6OS.
What is the molecular weight of C23H17ClN6OS?
The molecular weight of C23H17ClN6OS is 460.09 g/mol.
Where can I buy C23H17ClN6OS?
You can request a quote for C23H17ClN6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H17ClN6OS?
Yes, KEHONG BIO provides custom synthesis services for C23H17ClN6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.