N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid
TL;DR: N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid (CAS 56471-44-4) is a chemical compound with molecular formula C15H29NO and molecular weight 239.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-1-propan-2-ylcycloheptane-1-carboxamide
Also Known As: n-tert-butyl-1-(propan-2-yl)cycloheptanecarboxamide, N-tert-Butyl-2-isopropylcycloheptanecarboxamide, N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid, N-tert-butyl-1-propan-2-ylcycloheptane-1-carboxamide, EINECS 260-205-8
| Molecular Formula | C15H29NO |
|---|---|
| Molecular Weight | 239.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.22491 |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 56471-44-4 |
|---|---|
| SMILES | CC(C)C1(CCCCCC1)C(=O)NC(C)(C)C |
| InChIKey | KTONFZFXZYYJQE-UHFFFAOYSA-N |
Product Overview
N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid (CAS 56471-44-4), with molecular formula C15H29NO and molecular weight 239.22 g/mol. IUPAC: N-tert-butyl-1-propan-2-ylcycloheptane-1-carboxamide.
Chemical Property Profile of N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid
Property Insights of N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid
The XLogP value of 4.3 indicates that N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid has 1 hydrogen bond donor(s) and 1 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-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid?
The CAS number of N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid is 56471-44-4.
What is the molecular formula of N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid?
The molecular formula of N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid is C15H29NO.
What is the molecular weight of N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid?
The molecular weight of N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid is 239.22 g/mol.
Where can I buy N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid?
You can request a quote for N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butyl-1-(propan-2-yl)cycloheptane-1-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.