AB00122549-01
TL;DR: AB00122549-01 (CAS 433245-82-0) is a chemical compound with molecular formula C17H11ClN4O2S and molecular weight 370.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6E)-6-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: AB00122549-01, (6E)-6-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6E)-6-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-imino-2-methyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 6-{[5-(2-chlorophenyl)(2-furyl)]methylene}-5-imino-2-methyl-4-hydro-1,3,4-thia diazolino[3,2-a]pyrimidin-7-one
| Molecular Formula | C17H11ClN4O2S |
|---|---|
| Molecular Weight | 370.03 g/mol |
| LogP | 4.23907 |
| Topological Polar Surface Area | 82.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.0291 |
| Heavy Atoms | 25 |
| Complexity | 1005.5817 |
Chemical Identifiers
| CAS Number | 433245-82-0 |
|---|---|
| SMILES | CC1=NN2C(=N)/C(=C\C3=CC=C(O3)C4=CC=CC=C4Cl)/C(=O)N=C2S1 |
Product Overview
AB00122549-01 (CAS 433245-82-0), with molecular formula C17H11ClN4O2S and molecular weight 370.03 g/mol. IUPAC: (6E)-6-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-imino-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AB00122549-01
Property Insights of AB00122549-01
The XLogP value of 4.23907 indicates that AB00122549-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122549-01. Following Lipinski's Rule of Five, AB00122549-01 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 AB00122549-01?
The CAS number of AB00122549-01 is 433245-82-0.
What is the molecular formula of AB00122549-01?
The molecular formula of AB00122549-01 is C17H11ClN4O2S.
What is the molecular weight of AB00122549-01?
The molecular weight of AB00122549-01 is 370.03 g/mol.
Where can I buy AB00122549-01?
You can request a quote for AB00122549-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122549-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122549-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.