2,3-Dichloropropyl butyrate
TL;DR: 2,3-Dichloropropyl butyrate (CAS 88606-59-1) is a chemical compound with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloropropyl butanoate
Also Known As: 2,3-Dichloropropyl butyrate, 2,3-dichloropropyl butanoate, Butanoic acid, 2,3-dichloropropyl ester, 1-Propanol, 2,3-dichloro, butanoate, RefChem:244581
| Molecular Formula | C7H12Cl2O2 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.02144 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 88606-59-1 |
|---|---|
| SMILES | CCCC(=O)OCC(CCl)Cl |
| InChIKey | KKIRBVXTFOTIRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dichloropropyl butyrate (CAS 88606-59-1), with molecular formula C7H12Cl2O2 and molecular weight 198.02 g/mol. IUPAC: 2,3-dichloropropyl butanoate.
Chemical Property Profile of 2,3-Dichloropropyl butyrate
Property Insights of 2,3-Dichloropropyl butyrate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloropropyl butyrate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3-Dichloropropyl butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloropropyl butyrate 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 2,3-Dichloropropyl butyrate?
The CAS number of 2,3-Dichloropropyl butyrate is 88606-59-1.
What is the molecular formula of 2,3-Dichloropropyl butyrate?
The molecular formula of 2,3-Dichloropropyl butyrate is C7H12Cl2O2.
What is the molecular weight of 2,3-Dichloropropyl butyrate?
The molecular weight of 2,3-Dichloropropyl butyrate is 198.02 g/mol.
Where can I buy 2,3-Dichloropropyl butyrate?
You can request a quote for 2,3-Dichloropropyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dichloropropyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloropropyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.