AB00122288-01
TL;DR: AB00122288-01 (CAS 433246-08-3) is a chemical compound with molecular formula C22H17N5OS and molecular weight 399.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-6-[(E)-(2-methylindol-3-ylidene)methyl]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: AB00122288-01, (6E)-5-imino-6-[(2-methyl-1H-indol-3-yl)methylidene]-2-(4-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (E)-5-imino-6-((2-methyl-1H-indol-3-yl)methylene)-2-(p-tolyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one, 5-amino-6-[(E)-(2-methylindol-3-ylidene)methyl]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C22H17N5OS |
|---|---|
| Molecular Weight | 399.12 g/mol |
| LogP | 4.35522 |
| Topological Polar Surface Area | 85.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.1154 |
| Heavy Atoms | 29 |
| Complexity | 1393.2427 |
Chemical Identifiers
| CAS Number | 433246-08-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=C(C(=O)N=C3S2)/C=C\4/C(=NC5=CC=CC=C54)C)N |
Product Overview
AB00122288-01 (CAS 433246-08-3), with molecular formula C22H17N5OS and molecular weight 399.12 g/mol. IUPAC: 5-amino-6-[(E)-(2-methylindol-3-ylidene)methyl]-2-(4-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of AB00122288-01
Property Insights of AB00122288-01
The XLogP value of 4.35522 indicates that AB00122288-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122288-01. Following Lipinski's Rule of Five, AB00122288-01 has 1 hydrogen bond donor(s) and 6 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 AB00122288-01?
The CAS number of AB00122288-01 is 433246-08-3.
What is the molecular formula of AB00122288-01?
The molecular formula of AB00122288-01 is C22H17N5OS.
What is the molecular weight of AB00122288-01?
The molecular weight of AB00122288-01 is 399.12 g/mol.
Where can I buy AB00122288-01?
You can request a quote for AB00122288-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122288-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122288-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.