Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester
TL;DR: Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester (CAS 90139-63-2) is a chemical compound with molecular formula C5H8Cl2O3 and molecular weight 185.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl 2,2-dichloropropanoate
Also Known As: 2-hydroxyethyl 2,2-dichloropropanoate, 2-Hydroxyethyl alpha,alpha-dichloro propionate, Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester, 2,2-dichloro-propanoic acid,2-hydroxyethyl ester, alpha,alpha-dichloropropionic acid 2-hydroxyethyl-ester
| Molecular Formula | C5H8Cl2O3 |
|---|---|
| Molecular Weight | 185.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 185.98505 |
| Heavy Atoms | 10 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 90139-63-2 |
|---|---|
| SMILES | CC(C(=O)OCCO)(Cl)Cl |
| InChIKey | YGFNQSRYXGZCGF-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester (CAS 90139-63-2), with molecular formula C5H8Cl2O3 and molecular weight 185.99 g/mol. IUPAC: 2-hydroxyethyl 2,2-dichloropropanoate.
Chemical Property Profile of Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester
Property Insights of Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester. With a topological polar surface area (TPSA) of 46.5 Ų, Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester 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 Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester?
The CAS number of Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester is 90139-63-2.
What is the molecular formula of Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester?
The molecular formula of Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester is C5H8Cl2O3.
What is the molecular weight of Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester?
The molecular weight of Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester is 185.99 g/mol.
Where can I buy Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester?
You can request a quote for Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dichloro-, 2-hydroxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.