tert-Butyl 5,6-diamino-6-oxohexylcarbamate
TL;DR: tert-Butyl 5,6-diamino-6-oxohexylcarbamate (CAS 96138-49-7) is a chemical compound with molecular formula C11H23N3O3 and molecular weight 245.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(5,6-diamino-6-oxohexyl)carbamate
Also Known As: tert-Butyl 5,6-diamino-6-oxohexylcarbamate, NCI60_024409, tert-butyl N-(5,6-diamino-6-oxo-hexyl)carbamate, tert-butyl N-(5,6-diamino-6-oxohexyl)carbamate, (R)-tert-Butyl (5,6-diamino-6-oxohexyl)carbamate
| Molecular Formula | C11H23N3O3 |
|---|---|
| Molecular Weight | 245.17 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 245.17393 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 96138-49-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCCCC(C(=O)N)N |
| InChIKey | MYJDOZLWSJZLJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 5,6-diamino-6-oxohexylcarbamate (CAS 96138-49-7), with molecular formula C11H23N3O3 and molecular weight 245.17 g/mol. IUPAC: tert-butyl N-(5,6-diamino-6-oxohexyl)carbamate.
Chemical Property Profile of tert-Butyl 5,6-diamino-6-oxohexylcarbamate
Property Insights of tert-Butyl 5,6-diamino-6-oxohexylcarbamate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 5,6-diamino-6-oxohexylcarbamate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 5,6-diamino-6-oxohexylcarbamate. Following Lipinski's Rule of Five, tert-Butyl 5,6-diamino-6-oxohexylcarbamate has 3 hydrogen bond donor(s) and 4 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 tert-Butyl 5,6-diamino-6-oxohexylcarbamate?
The CAS number of tert-Butyl 5,6-diamino-6-oxohexylcarbamate is 96138-49-7.
What is the molecular formula of tert-Butyl 5,6-diamino-6-oxohexylcarbamate?
The molecular formula of tert-Butyl 5,6-diamino-6-oxohexylcarbamate is C11H23N3O3.
What is the molecular weight of tert-Butyl 5,6-diamino-6-oxohexylcarbamate?
The molecular weight of tert-Butyl 5,6-diamino-6-oxohexylcarbamate is 245.17 g/mol.
Where can I buy tert-Butyl 5,6-diamino-6-oxohexylcarbamate?
You can request a quote for tert-Butyl 5,6-diamino-6-oxohexylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 5,6-diamino-6-oxohexylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 5,6-diamino-6-oxohexylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.