methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate
TL;DR: methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate (CAS 840461-47-4) is a chemical compound with molecular formula C13H14FN3O2 and molecular weight 263.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate
Also Known As: methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate, (E)-methyl 3-(((dimethylamino)methylene)amino)-5-fluoro-1H-indole-2-carboxylate, methyl 3-{[(E)-(dimethylamino)methylidene]amino}-5-fluoro-1H-indole-2-carboxylate
| Molecular Formula | C13H14FN3O2 |
|---|---|
| Molecular Weight | 263.11 g/mol |
| LogP | 2.315 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.107 |
| Heavy Atoms | 19 |
| Complexity | 646.6209 |
Chemical Identifiers
| CAS Number | 840461-47-4 |
|---|---|
| SMILES | CN(C)C=NC1=C(NC2=C1C=C(C=C2)F)C(=O)OC |
Product Overview
methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate (CAS 840461-47-4), with molecular formula C13H14FN3O2 and molecular weight 263.11 g/mol. IUPAC: methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate
Property Insights of methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate
The XLogP value of 2.315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate. With a topological polar surface area (TPSA) of 57.69 Ų, methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate has 1 hydrogen bond donor(s) and 3 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 methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate?
The CAS number of methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate is 840461-47-4.
What is the molecular formula of methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate?
The molecular formula of methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate is C13H14FN3O2.
What is the molecular weight of methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate?
The molecular weight of methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate is 263.11 g/mol.
Where can I buy methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate?
You can request a quote for methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(dimethylaminomethylideneamino)-5-fluoro-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.