MixCom6_001936
TL;DR: MixCom6_001936 (CAS 5768-19-4) is a chemical compound with molecular formula C12H11IN8O2S2 and molecular weight 489.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(5-iodo-2-methylsulfanylthiophen-3-yl)methylideneamino]-5-methyltriazole-4-carboxamide
Also Known As: MixCom6_001936, BIM-0032273.P001, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(5-iodo-2-methylsulfanylthiophen-3-yl)methylideneamino]-5-methyltriazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{[5-iodo-2-(methylthio)-3-thienyl]methylene}-5-methyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[5-iodo-2-(methylsulfanyl)thiophen-3-yl]methylidene}-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C12H11IN8O2S2 |
|---|---|
| Molecular Weight | 489.95 g/mol |
| LogP | 1.69282 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.9491 |
| Heavy Atoms | 25 |
| Complexity | 946.96796 |
Chemical Identifiers
| CAS Number | 5768-19-4 |
|---|---|
| SMILES | CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=C(SC(=C3)I)SC |
Product Overview
MixCom6_001936 (CAS 5768-19-4), with molecular formula C12H11IN8O2S2 and molecular weight 489.95 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(5-iodo-2-methylsulfanylthiophen-3-yl)methylideneamino]-5-methyltriazole-4-carboxamide.
Chemical Property Profile of MixCom6_001936
Property Insights of MixCom6_001936
The XLogP value of 1.69282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MixCom6_001936. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for MixCom6_001936. Following Lipinski's Rule of Five, MixCom6_001936 has 2 hydrogen bond donor(s) and 10 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 MixCom6_001936?
The CAS number of MixCom6_001936 is 5768-19-4.
What is the molecular formula of MixCom6_001936?
The molecular formula of MixCom6_001936 is C12H11IN8O2S2.
What is the molecular weight of MixCom6_001936?
The molecular weight of MixCom6_001936 is 489.95 g/mol.
Where can I buy MixCom6_001936?
You can request a quote for MixCom6_001936 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MixCom6_001936?
Yes, KEHONG BIO provides custom synthesis services for MixCom6_001936 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.