naphthalen-1-yl N-(3-bromopropanoyl)carbamate
TL;DR: naphthalen-1-yl N-(3-bromopropanoyl)carbamate (CAS 37521-47-4) is a chemical compound with molecular formula C14H12BrNO3 and molecular weight 321.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-yl N-(3-bromopropanoyl)carbamate
Also Known As: naphthalen-1-yl N-(3-bromopropanoyl)carbamate, naphthalen-1-yl(3-bromopropanoyl)carbamate, naphthalen-1-yl (3-bromopropanoyl)carbamate, 3-Bromo-N-{[(naphthalen-1-yl)oxy]carbonyl}propanimidic acid, A-Hydroxy-4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzeneacetic Acid
| Molecular Formula | C14H12BrNO3 |
|---|---|
| Molecular Weight | 321.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.00006 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 37521-47-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OC(=O)NC(=O)CCBr |
| InChIKey | JGXUSBQBRKEIHG-UHFFFAOYSA-N |
Product Overview
naphthalen-1-yl N-(3-bromopropanoyl)carbamate (CAS 37521-47-4), with molecular formula C14H12BrNO3 and molecular weight 321.00 g/mol. IUPAC: naphthalen-1-yl N-(3-bromopropanoyl)carbamate.
Chemical Property Profile of naphthalen-1-yl N-(3-bromopropanoyl)carbamate
Property Insights of naphthalen-1-yl N-(3-bromopropanoyl)carbamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for naphthalen-1-yl N-(3-bromopropanoyl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, naphthalen-1-yl N-(3-bromopropanoyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, naphthalen-1-yl N-(3-bromopropanoyl)carbamate has 1 hydrogen bond donor(s) and 3 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 naphthalen-1-yl N-(3-bromopropanoyl)carbamate?
The CAS number of naphthalen-1-yl N-(3-bromopropanoyl)carbamate is 37521-47-4.
What is the molecular formula of naphthalen-1-yl N-(3-bromopropanoyl)carbamate?
The molecular formula of naphthalen-1-yl N-(3-bromopropanoyl)carbamate is C14H12BrNO3.
What is the molecular weight of naphthalen-1-yl N-(3-bromopropanoyl)carbamate?
The molecular weight of naphthalen-1-yl N-(3-bromopropanoyl)carbamate is 321.00 g/mol.
Where can I buy naphthalen-1-yl N-(3-bromopropanoyl)carbamate?
You can request a quote for naphthalen-1-yl 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 naphthalen-1-yl N-(3-bromopropanoyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for naphthalen-1-yl N-(3-bromopropanoyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.