Acetic acid, bromo-, 1-naphthalenylmethyl ester
TL;DR: Acetic acid, bromo-, 1-naphthalenylmethyl ester (CAS 59956-74-0) is a chemical compound with molecular formula C13H11BrO2 and molecular weight 277.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-ylmethyl 2-bromoacetate
Also Known As: 1-Naphthylmethyl bromoacetate, 1-Naphthylmethyl bromoacetate #, naphthalen-1-ylmethyl 2-bromoacetate, 1-Naphthalenemethyl monobromoacetate, (Naphthalen-1-yl)methyl 2-bromoacetate
| Molecular Formula | C13H11BrO2 |
|---|---|
| Molecular Weight | 277.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.99423 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 59956-74-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2COC(=O)CBr |
| InChIKey | MNPRQAITEQTGDR-UHFFFAOYSA-N |
Product Overview
Acetic acid, bromo-, 1-naphthalenylmethyl ester (CAS 59956-74-0), with molecular formula C13H11BrO2 and molecular weight 277.99 g/mol. IUPAC: naphthalen-1-ylmethyl 2-bromoacetate.
Chemical Property Profile of Acetic acid, bromo-, 1-naphthalenylmethyl ester
Property Insights of Acetic acid, bromo-, 1-naphthalenylmethyl ester
The XLogP value of 3.8 indicates that Acetic acid, bromo-, 1-naphthalenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, bromo-, 1-naphthalenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, bromo-, 1-naphthalenylmethyl ester has 0 hydrogen bond donor(s) and 2 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 Acetic acid, bromo-, 1-naphthalenylmethyl ester?
The CAS number of Acetic acid, bromo-, 1-naphthalenylmethyl ester is 59956-74-0.
What is the molecular formula of Acetic acid, bromo-, 1-naphthalenylmethyl ester?
The molecular formula of Acetic acid, bromo-, 1-naphthalenylmethyl ester is C13H11BrO2.
What is the molecular weight of Acetic acid, bromo-, 1-naphthalenylmethyl ester?
The molecular weight of Acetic acid, bromo-, 1-naphthalenylmethyl ester is 277.99 g/mol.
Where can I buy Acetic acid, bromo-, 1-naphthalenylmethyl ester?
You can request a quote for Acetic acid, bromo-, 1-naphthalenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, bromo-, 1-naphthalenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, bromo-, 1-naphthalenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.