methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate
TL;DR: methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate (CAS 1190628-42-2) is a chemical compound with molecular formula C12H15N3O2 and molecular weight 233.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-amino-4-(1H-benzimidazol-2-yl)butanoate
Also Known As: methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate, methyl 2-amino-4-(1H-benzimidazol-2-yl)butanoate, Methyl 2-amino-4-(1H-benzoimidazol-2-yl)butanoate
Technical Specifications
| Molecular Formula | C12H15N3O2 |
| Molecular Weight | 233.11642 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 81.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.11642 Da |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
| SMILES | COC(=O)C(CCC1=NC2=CC=CC=C2N1)N |
| InChIKey | BZVSBRDPXVEJDU-UHFFFAOYSA-N |
Chemical Property Profile of methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate
Property Insights of methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate. The TPSA of 81.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate. Following Lipinski's Rule of Five, methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate?
The CAS number of methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate is 1190628-42-2.
What is the molecular formula of methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate?
The molecular formula of methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate is C12H15N3O2.
What is the molecular weight of methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate?
The molecular weight of methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate is 233.11642 g/mol.
Where can I buy methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate?
You can request a quote for methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate?
Yes, CoreyChem provides custom synthesis services for methyl 2-amino-4-(1H-1,3-benzodiazol-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.