Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester
TL;DR: Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester (CAS 79513-22-7) is a chemical compound with molecular formula C13H25BrN2O3 and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-(6-bromohexanoylamino)ethyl]carbamate
Also Known As: tert-butyl N-[2-(6-bromohexanoylamino)ethyl]carbamate, 6-bromo-N-(2-(1,1-dimethylethoxycarbonylamino)ethyl)hexanamide, [2-(6-Bromo-hexanoylamino)-ethyl]-carbamic acid tert-butyl ester, 6-Bromo-N-(2-{[tert-butoxy(hydroxy)methylidene]amino}ethyl)hexanimidic acid, Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester
| Molecular Formula | C13H25BrN2O3 |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 336.10486 |
| Heavy Atoms | 19 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 79513-22-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCNC(=O)CCCCCBr |
| InChIKey | JXSCUJPRAUIUKW-UHFFFAOYSA-N |
Product Overview
Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester (CAS 79513-22-7), with molecular formula C13H25BrN2O3 and molecular weight 336.10 g/mol. IUPAC: tert-butyl N-[2-(6-bromohexanoylamino)ethyl]carbamate.
Chemical Property Profile of Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester
Property Insights of Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester. Following Lipinski's Rule of Five, Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester has 2 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 Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester?
The CAS number of Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester is 79513-22-7.
What is the molecular formula of Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester?
The molecular formula of Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester is C13H25BrN2O3.
What is the molecular weight of Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester?
The molecular weight of Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester is 336.10 g/mol.
Where can I buy Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester?
You can request a quote for Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, (2-((6-bromo-1-oxohexyl)amino)ethyl)-, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.