1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide
TL;DR: 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide (CAS 56471-42-2) is a chemical compound with molecular formula C16H31NO2 and molecular weight 269.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-N-(1-hydroxy-2-methylpropan-2-yl)cycloheptane-1-carboxamide
Also Known As: 1-sec-butyl-N- cycloheptanecarboxamide, 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide, 1-(butan-2-yl)-n-(1-hydroxy-2-methylpropan-2-yl)cycloheptanecarboxamide, [(1-sec-Butyl-cycloheptanecarbonyl)-amino]-acetic acid ethyl ester, 1-butan-2-yl-N-(1-hydroxy-2-methylpropan-2-yl)cycloheptane-1-carboxamide
| Molecular Formula | C16H31NO2 |
|---|---|
| Molecular Weight | 269.24 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.23547 |
| Heavy Atoms | 19 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 56471-42-2 |
|---|---|
| SMILES | CCC(C)C1(CCCCCC1)C(=O)NC(C)(C)CO |
| InChIKey | CFPRLPOHLDRYIP-UHFFFAOYSA-N |
Product Overview
1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide (CAS 56471-42-2), with molecular formula C16H31NO2 and molecular weight 269.24 g/mol. IUPAC: 1-butan-2-yl-N-(1-hydroxy-2-methylpropan-2-yl)cycloheptane-1-carboxamide.
Chemical Property Profile of 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide
Property Insights of 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide
The XLogP value of 3.8 indicates that 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide has 2 hydrogen bond donor(s) and 2 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 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide?
The CAS number of 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide is 56471-42-2.
What is the molecular formula of 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide?
The molecular formula of 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide is C16H31NO2.
What is the molecular weight of 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide?
The molecular weight of 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide is 269.24 g/mol.
Where can I buy 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide?
You can request a quote for 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-sec-Butyl-N-(2'-hydroxy-1',1'-dimethylethyl)cycloheptanecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.