Propanoic acid, 2,2-dichloro-, heptyl ester
TL;DR: Propanoic acid, 2,2-dichloro-, heptyl ester (CAS 89876-38-0) is a chemical compound with molecular formula C10H18Cl2O2 and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptyl 2,2-dichloropropanoate
Also Known As: HEPTYL 2,2-DICHLOROPROPANOATE, Propanoic acid, 2,2-dichloro-, heptyl ester, Propanoic acid,2,2-dichloro-,heptyl ester
| Molecular Formula | C10H18Cl2O2 |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 240.06839 |
| Heavy Atoms | 14 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 89876-38-0 |
|---|---|
| SMILES | CCCCCCCOC(=O)C(C)(Cl)Cl |
| InChIKey | REEPEUZCQJPKJC-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2,2-dichloro-, heptyl ester (CAS 89876-38-0), with molecular formula C10H18Cl2O2 and molecular weight 240.07 g/mol. IUPAC: heptyl 2,2-dichloropropanoate.
Chemical Property Profile of Propanoic acid, 2,2-dichloro-, heptyl ester
Property Insights of Propanoic acid, 2,2-dichloro-, heptyl ester
The XLogP value of 4.5 indicates that Propanoic acid, 2,2-dichloro-, heptyl 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, Propanoic acid, 2,2-dichloro-, heptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2,2-dichloro-, heptyl 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 Propanoic acid, 2,2-dichloro-, heptyl ester?
The CAS number of Propanoic acid, 2,2-dichloro-, heptyl ester is 89876-38-0.
What is the molecular formula of Propanoic acid, 2,2-dichloro-, heptyl ester?
The molecular formula of Propanoic acid, 2,2-dichloro-, heptyl ester is C10H18Cl2O2.
What is the molecular weight of Propanoic acid, 2,2-dichloro-, heptyl ester?
The molecular weight of Propanoic acid, 2,2-dichloro-, heptyl ester is 240.07 g/mol.
Where can I buy Propanoic acid, 2,2-dichloro-, heptyl ester?
You can request a quote for Propanoic acid, 2,2-dichloro-, heptyl 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-, heptyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2,2-dichloro-, heptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.