3-Nitrobutan-2-yl hydrogen phenylcarbonimidate
TL;DR: 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate (CAS 6526-61-0) is a chemical compound with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrobutan-2-yl N-phenylcarbamate
Also Known As: 2-Nitroisobutyl-N-phenylcarbamate, 3-nitrobutan-2-yl N-phenylcarbamate, 3-nitrobutan-2-yl phenylcarbamate, 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate, 2-Butanol, 3-nitro-, carbanilate (ester)
| Molecular Formula | C11H14N2O4 |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.09535 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 6526-61-0 |
|---|---|
| SMILES | CC(C(C)OC(=O)NC1=CC=CC=C1)[N+](=O)[O-] |
| InChIKey | UYTRXLZRHNDHHY-UHFFFAOYSA-N |
Product Overview
3-Nitrobutan-2-yl hydrogen phenylcarbonimidate (CAS 6526-61-0), with molecular formula C11H14N2O4 and molecular weight 238.10 g/mol. IUPAC: 3-nitrobutan-2-yl N-phenylcarbamate.
Chemical Property Profile of 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate
Property Insights of 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate. Following Lipinski's Rule of Five, 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate 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 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate?
The CAS number of 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate is 6526-61-0.
What is the molecular formula of 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate?
The molecular formula of 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate is C11H14N2O4.
What is the molecular weight of 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate?
The molecular weight of 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate is 238.10 g/mol.
Where can I buy 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate?
You can request a quote for 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobutan-2-yl hydrogen phenylcarbonimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.