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N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide
TL;DR: N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide (CAS 36068-42-5) is a chemical compound with molecular formula C9H9ClF3N5 and molecular weight 279.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-chloro-5-(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide, 1-[2-Chloro-5-(trifluoromethyl)phenyl]biguanide, AJ-292/42032079, 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine, 2-[2-Chloro-5-(trifluoromethyl)phenyl]-1-(diaminomethylene)guanidine
| Molecular Formula | C9H9ClF3N5 |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.04987 |
| Heavy Atoms | 18 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 36068-42-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N=C(N)N=C(N)N)Cl |
| InChIKey | IGFTZEOFHWPCDL-UHFFFAOYSA-N |
Product Overview
N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide (CAS 36068-42-5), with molecular formula C9H9ClF3N5 and molecular weight 279.05 g/mol. IUPAC: 2-[2-chloro-5-(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine.
Chemical Property Profile of N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide
Property Insights of N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide. Following Lipinski's Rule of Five, N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide has 3 hydrogen bond donor(s) and 4 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 N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide?
The CAS number of N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide is 36068-42-5.
What is the molecular formula of N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide?
The molecular formula of N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide is C9H9ClF3N5.
What is the molecular weight of N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide?
The molecular weight of N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide is 279.05 g/mol.
Where can I buy N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide?
You can request a quote for N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-Chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.