Acetic acid, dibromocyano-, ethyl ester
TL;DR: Acetic acid, dibromocyano-, ethyl ester (CAS 13280-85-8) is a chemical compound with molecular formula C5H5Br2NO2 and molecular weight 268.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dibromo-2-cyanoacetate
Also Known As: ethyl dibromocyanoacetate, ethyl 2,2-dibromocyanoacetate, Ethyl dibromo(cyano)acetate, ethyl 2,2-dibromo-2-cyanoacetate, Acetic acid, dibromocyano-, ethyl ester
| Molecular Formula | C5H5Br2NO2 |
|---|---|
| Molecular Weight | 268.87 g/mol |
| LogP | 1.55918 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.8687 |
| Heavy Atoms | 10 |
| Complexity | 172.97699 |
Chemical Identifiers
| CAS Number | 13280-85-8 |
|---|---|
| SMILES | CCOC(=O)C(C#N)(Br)Br |
Product Overview
Acetic acid, dibromocyano-, ethyl ester (CAS 13280-85-8), with molecular formula C5H5Br2NO2 and molecular weight 268.87 g/mol. IUPAC: ethyl 2,2-dibromo-2-cyanoacetate.
Chemical Property Profile of Acetic acid, dibromocyano-, ethyl ester
Property Insights of Acetic acid, dibromocyano-, ethyl ester
The XLogP value of 1.55918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, dibromocyano-, ethyl ester. With a topological polar surface area (TPSA) of 50.09 Ų, Acetic acid, dibromocyano-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, dibromocyano-, ethyl ester has 0 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 Acetic acid, dibromocyano-, ethyl ester?
The CAS number of Acetic acid, dibromocyano-, ethyl ester is 13280-85-8.
What is the molecular formula of Acetic acid, dibromocyano-, ethyl ester?
The molecular formula of Acetic acid, dibromocyano-, ethyl ester is C5H5Br2NO2.
What is the molecular weight of Acetic acid, dibromocyano-, ethyl ester?
The molecular weight of Acetic acid, dibromocyano-, ethyl ester is 268.87 g/mol.
Where can I buy Acetic acid, dibromocyano-, ethyl ester?
You can request a quote for Acetic acid, dibromocyano-, ethyl 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, dibromocyano-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, dibromocyano-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.