Chloroiodoacetic acid methyl ester
TL;DR: Chloroiodoacetic acid methyl ester (CAS 53235-05-5) is a chemical compound with molecular formula C3H4ClIO2 and molecular weight 233.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-2-iodoacetate
Also Known As: Chloroiodoacetic acid methyl ester, Methyl chloro(iodo)acetate, methyl 2-chloro-2-iodoacetate, Chloroiodoaceticacidmethylester, Methyl chloro(iodo)acetate #
| Molecular Formula | C3H4ClIO2 |
|---|---|
| Molecular Weight | 233.89 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.89445 |
| Heavy Atoms | 7 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 53235-05-5 |
|---|---|
| SMILES | COC(=O)C(Cl)I |
| InChIKey | PNAAWBJWSUNQPD-UHFFFAOYSA-N |
Product Overview
Chloroiodoacetic acid methyl ester (CAS 53235-05-5), with molecular formula C3H4ClIO2 and molecular weight 233.89 g/mol. IUPAC: methyl 2-chloro-2-iodoacetate.
Chemical Property Profile of Chloroiodoacetic acid methyl ester
Property Insights of Chloroiodoacetic acid methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroiodoacetic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Chloroiodoacetic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroiodoacetic acid methyl 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 Chloroiodoacetic acid methyl ester?
The CAS number of Chloroiodoacetic acid methyl ester is 53235-05-5.
What is the molecular formula of Chloroiodoacetic acid methyl ester?
The molecular formula of Chloroiodoacetic acid methyl ester is C3H4ClIO2.
What is the molecular weight of Chloroiodoacetic acid methyl ester?
The molecular weight of Chloroiodoacetic acid methyl ester is 233.89 g/mol.
Where can I buy Chloroiodoacetic acid methyl ester?
You can request a quote for Chloroiodoacetic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroiodoacetic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Chloroiodoacetic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.