(4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate
TL;DR: (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate (CAS 2978-11-2) is a chemical compound with molecular formula C14H21N3O3 and molecular weight 279.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl N,N'-di(propan-2-yl)carbamimidate
Also Known As: 4-Nitrobenzyl 8, P-nitrobenzyl 8, Para-nitrobenzyl 8, Formyldimethylamine, NBDI
| Molecular Formula | C14H21N3O3 |
|---|---|
| Molecular Weight | 279.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.1583 |
| Heavy Atoms | 20 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 2978-11-2 |
|---|---|
| SMILES | CC(C)NC(=NC(C)C)OCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | FYDMCLCYYCIDMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate (CAS 2978-11-2), with molecular formula C14H21N3O3 and molecular weight 279.16 g/mol. IUPAC: (4-nitrophenyl)methyl N,N'-di(propan-2-yl)carbamimidate.
Chemical Property Profile of (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate
Property Insights of (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate. Following Lipinski's Rule of Five, (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)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 (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate?
The CAS number of (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate is 2978-11-2.
What is the molecular formula of (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate?
The molecular formula of (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate is C14H21N3O3.
What is the molecular weight of (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate?
The molecular weight of (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate is 279.16 g/mol.
Where can I buy (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate?
You can request a quote for (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)methyl N,N'-bis(1-methylethyl)carbamimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.