(4-nitrophenyl) N-(3-bromopropanoyl)carbamate
TL;DR: (4-nitrophenyl) N-(3-bromopropanoyl)carbamate (CAS 91647-11-9) is a chemical compound with molecular formula C10H9BrN2O5 and molecular weight 315.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) N-(3-bromopropanoyl)carbamate
Also Known As: N--carbamidsaeure-, 4-nitrophenyl(3-bromopropanoyl)carbamate, (4-nitrophenyl) N-(3-bromopropanoyl)carbamate, 3-Bromo-N-[(4-nitrophenoxy)carbonyl]propanimidic acid
| Molecular Formula | C10H9BrN2O5 |
|---|---|
| Molecular Weight | 315.97 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.96948 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 91647-11-9 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)NC(=O)CCBr |
| InChIKey | NVPXHPHLDDZSIN-UHFFFAOYSA-N |
Product Overview
(4-nitrophenyl) N-(3-bromopropanoyl)carbamate (CAS 91647-11-9), with molecular formula C10H9BrN2O5 and molecular weight 315.97 g/mol. IUPAC: (4-nitrophenyl) N-(3-bromopropanoyl)carbamate.
Chemical Property Profile of (4-nitrophenyl) N-(3-bromopropanoyl)carbamate
Property Insights of (4-nitrophenyl) N-(3-bromopropanoyl)carbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-nitrophenyl) N-(3-bromopropanoyl)carbamate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-nitrophenyl) N-(3-bromopropanoyl)carbamate. Following Lipinski's Rule of Five, (4-nitrophenyl) N-(3-bromopropanoyl)carbamate has 1 hydrogen bond donor(s) and 5 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) N-(3-bromopropanoyl)carbamate?
The CAS number of (4-nitrophenyl) N-(3-bromopropanoyl)carbamate is 91647-11-9.
What is the molecular formula of (4-nitrophenyl) N-(3-bromopropanoyl)carbamate?
The molecular formula of (4-nitrophenyl) N-(3-bromopropanoyl)carbamate is C10H9BrN2O5.
What is the molecular weight of (4-nitrophenyl) N-(3-bromopropanoyl)carbamate?
The molecular weight of (4-nitrophenyl) N-(3-bromopropanoyl)carbamate is 315.97 g/mol.
Where can I buy (4-nitrophenyl) N-(3-bromopropanoyl)carbamate?
You can request a quote for (4-nitrophenyl) N-(3-bromopropanoyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-nitrophenyl) N-(3-bromopropanoyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (4-nitrophenyl) N-(3-bromopropanoyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.