tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate
TL;DR: tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate (CAS 182576-24-5) is a chemical compound with molecular formula C12H27N3O2 and molecular weight 245.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate
Also Known As: NCI60_030943, H2N(CH2)3N(tert-butoxycarbonyl)(CH2)4NH2, J1.494.995J, tert-Butyl (4-aminobutyl)(3-aminopropyl)carbamate, tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate
| Molecular Formula | C12H27N3O2 |
|---|---|
| Molecular Weight | 245.21 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 245.21033 |
| Heavy Atoms | 17 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 182576-24-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N(CCCCN)CCCN |
| InChIKey | LXFKQBNEHNLMRB-UHFFFAOYSA-N |
Product Overview
tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate (CAS 182576-24-5), with molecular formula C12H27N3O2 and molecular weight 245.21 g/mol. IUPAC: tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate.
Chemical Property Profile of tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate
Property Insights of tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate. The TPSA of 81.6 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate has 2 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 N-(4-aminobutyl)-N-(3-aminopropyl)carbamate?
The CAS number of tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate is 182576-24-5.
What is the molecular formula of tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate?
The molecular formula of tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate is C12H27N3O2.
What is the molecular weight of tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate?
The molecular weight of tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate is 245.21 g/mol.
Where can I buy tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate?
You can request a quote for tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.