AI-067/31571049
TL;DR: AI-067/31571049 (CAS 148367-80-0) is a chemical compound with molecular formula C12H9FN4O2S and molecular weight 292.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyanoimino-4-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxylate
Also Known As: AI-067/31571049, Ethyl (5Z)-5-(cyanoimino)-4-(2-fluorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate, ethyl 5-cyanoimino-4-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxylate, Ethyl 5-cyanamide-4-(2-fluorophenyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate, ETHYL5-CYANAMIDE-4- -4,5-DIHYDRO-1,3,4-THIADIAZOLE-2-CARBOXYLATE
| Molecular Formula | C12H9FN4O2S |
|---|---|
| Molecular Weight | 292.04 g/mol |
| LogP | 1.63138 |
| Topological Polar Surface Area | 80.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.04303 |
| Heavy Atoms | 20 |
| Complexity | 744.401 |
Chemical Identifiers
| CAS Number | 148367-80-0 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=NC#N)S1)C2=CC=CC=C2F |
Product Overview
AI-067/31571049 (CAS 148367-80-0), with molecular formula C12H9FN4O2S and molecular weight 292.04 g/mol. IUPAC: ethyl 5-cyanoimino-4-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxylate.
Chemical Property Profile of AI-067/31571049
Property Insights of AI-067/31571049
The XLogP value of 1.63138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI-067/31571049. The TPSA of 80.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-067/31571049. Following Lipinski's Rule of Five, AI-067/31571049 has 0 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 AI-067/31571049?
The CAS number of AI-067/31571049 is 148367-80-0.
What is the molecular formula of AI-067/31571049?
The molecular formula of AI-067/31571049 is C12H9FN4O2S.
What is the molecular weight of AI-067/31571049?
The molecular weight of AI-067/31571049 is 292.04 g/mol.
Where can I buy AI-067/31571049?
You can request a quote for AI-067/31571049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-067/31571049?
Yes, KEHONG BIO provides custom synthesis services for AI-067/31571049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.