Methyl 1-aminocycloheptanecarboxylate
TL;DR: Methyl 1-aminocycloheptanecarboxylate (CAS 92398-50-0) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-aminocycloheptane-1-carboxylate
Also Known As: Methyl 1-aminocycloheptanecarboxylate, METHYL 1-AMINO-1-CYCLOHEPTANECARBOXYLATE, Methyl 1-aminocycloheptane-1-carboxylate, Methyl1-aminocycloheptanecarboxylate, 9606AA
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.2111 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 159.91147 |
Chemical Identifiers
| CAS Number | 92398-50-0 |
|---|---|
| SMILES | COC(=O)C1(CCCCCC1)N |
Product Overview
Methyl 1-aminocycloheptanecarboxylate (CAS 92398-50-0), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: methyl 1-aminocycloheptane-1-carboxylate.
Chemical Property Profile of Methyl 1-aminocycloheptanecarboxylate
Property Insights of Methyl 1-aminocycloheptanecarboxylate
The XLogP value of 1.2111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-aminocycloheptanecarboxylate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 1-aminocycloheptanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-aminocycloheptanecarboxylate 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 1-aminocycloheptanecarboxylate?
The CAS number of Methyl 1-aminocycloheptanecarboxylate is 92398-50-0.
What is the molecular formula of Methyl 1-aminocycloheptanecarboxylate?
The molecular formula of Methyl 1-aminocycloheptanecarboxylate is C9H17NO2.
What is the molecular weight of Methyl 1-aminocycloheptanecarboxylate?
The molecular weight of Methyl 1-aminocycloheptanecarboxylate is 171.13 g/mol.
Where can I buy Methyl 1-aminocycloheptanecarboxylate?
You can request a quote for Methyl 1-aminocycloheptanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-aminocycloheptanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-aminocycloheptanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.