butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate
TL;DR: butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate (CAS 92162-90-8) is a chemical compound with molecular formula C13H27N3O3 and molecular weight 273.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate
Also Known As: butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate
| Molecular Formula | C13H27N3O3 |
|---|---|
| Molecular Weight | 273.21 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 273.20523 |
| Heavy Atoms | 19 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 92162-90-8 |
|---|---|
| SMILES | CCCCN(CC(C)(C)[N+](=O)[O-])C(=N)OCCCC |
| InChIKey | XOJUSMISSKNOHE-UHFFFAOYSA-N |
Product Overview
butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate (CAS 92162-90-8), with molecular formula C13H27N3O3 and molecular weight 273.21 g/mol. IUPAC: butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate.
Chemical Property Profile of butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate
Property Insights of butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate
The XLogP value of 3.1 indicates that butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate. Following Lipinski's Rule of Five, butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate has 1 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 butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate?
The CAS number of butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate is 92162-90-8.
What is the molecular formula of butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate?
The molecular formula of butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate is C13H27N3O3.
What is the molecular weight of butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate?
The molecular weight of butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate is 273.21 g/mol.
Where can I buy butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate?
You can request a quote for butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate?
Yes, KEHONG BIO provides custom synthesis services for butyl N-butyl-N-(2-methyl-2-nitropropyl)carbamimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.