2,2,4-trimethylpentyl N,N-dibutylcarbamimidate
TL;DR: 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate (CAS 13194-59-7) is a chemical compound with molecular formula C17H36N2O and molecular weight 284.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethylpentyl N,N-dibutylcarbamimidate
Also Known As: 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate, N,N-Dibutyl-O-<2,2,4-trimethyl-amyl>-isoharnstoff
| Molecular Formula | C17H36N2O |
|---|---|
| Molecular Weight | 284.28 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 284.28278 |
| Heavy Atoms | 20 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 13194-59-7 |
|---|---|
| SMILES | CCCCN(CCCC)C(=N)OCC(C)(C)CC(C)C |
| InChIKey | NVLMMCPTWFAVKR-UHFFFAOYSA-N |
Product Overview
2,2,4-trimethylpentyl N,N-dibutylcarbamimidate (CAS 13194-59-7), with molecular formula C17H36N2O and molecular weight 284.28 g/mol. IUPAC: 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate.
Chemical Property Profile of 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate
Property Insights of 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate
The XLogP value of 5.6 indicates that 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate?
The CAS number of 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate is 13194-59-7.
What is the molecular formula of 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate?
The molecular formula of 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate is C17H36N2O.
What is the molecular weight of 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate?
The molecular weight of 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate is 284.28 g/mol.
Where can I buy 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate?
You can request a quote for 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-trimethylpentyl N,N-dibutylcarbamimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.