N-(2-bromoethyl)cyclohexylcarboxamide
TL;DR: N-(2-bromoethyl)cyclohexylcarboxamide (CAS 100640-31-1) is a chemical compound with molecular formula C9H16BrNO and molecular weight 233.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromoethyl)cyclohexanecarboxamide
Also Known As: N-(2-bromoethyl)cyclohexanecarboxamide, N-(2-bromoethyl)cyclohexylcarboxamide, 1,5-Benzothiazepine-5(2H)-acetic acid, 3-[[1-(ethoxycarbonyl)octyl]amino]-3,4-dihydro-4-oxo-, hydrochloride (9CI)
| Molecular Formula | C9H16BrNO |
|---|---|
| Molecular Weight | 233.04 g/mol |
| LogP | 2.0778 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.04153 |
| Heavy Atoms | 12 |
| Complexity | 143.46396 |
Chemical Identifiers
| CAS Number | 100640-31-1 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)NCCBr |
Product Overview
N-(2-bromoethyl)cyclohexylcarboxamide (CAS 100640-31-1), with molecular formula C9H16BrNO and molecular weight 233.04 g/mol. IUPAC: N-(2-bromoethyl)cyclohexanecarboxamide.
Chemical Property Profile of N-(2-bromoethyl)cyclohexylcarboxamide
Property Insights of N-(2-bromoethyl)cyclohexylcarboxamide
The XLogP value of 2.0778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-bromoethyl)cyclohexylcarboxamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-(2-bromoethyl)cyclohexylcarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-bromoethyl)cyclohexylcarboxamide 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-(2-bromoethyl)cyclohexylcarboxamide?
The CAS number of N-(2-bromoethyl)cyclohexylcarboxamide is 100640-31-1.
What is the molecular formula of N-(2-bromoethyl)cyclohexylcarboxamide?
The molecular formula of N-(2-bromoethyl)cyclohexylcarboxamide is C9H16BrNO.
What is the molecular weight of N-(2-bromoethyl)cyclohexylcarboxamide?
The molecular weight of N-(2-bromoethyl)cyclohexylcarboxamide is 233.04 g/mol.
Where can I buy N-(2-bromoethyl)cyclohexylcarboxamide?
You can request a quote for N-(2-bromoethyl)cyclohexylcarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-bromoethyl)cyclohexylcarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-bromoethyl)cyclohexylcarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.