2,3-二氯苯甲酸 1-甲基乙酯
TL;DR: 2,3-二氯苯甲酸 1-甲基乙酯 (CAS 130189-78-5) is a chemical compound with molecular formula C10H10Cl2O2 and molecular weight 232.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-二氯苯甲酸 1-甲基乙酯
propan-2-yl 2,3-dichlorobenzoate
Also Known As: propan-2-yl 2,3-dichlorobenzoate, Benzoic acid, 2,3-dichloro-, 1-methylethyl ester, Benzoic acid,2,3-dichloro-,1-methylethyl ester
| Molecular Formula | C10H10Cl2O2 |
|---|---|
| Molecular Weight | 232.01 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.00578 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 130189-78-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C(=CC=C1)Cl)Cl |
| InChIKey | ALCOSKITZGAESR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-二氯苯甲酸 1-甲基乙酯 (CAS 130189-78-5), with molecular formula C10H10Cl2O2 and molecular weight 232.01 g/mol. IUPAC: propan-2-yl 2,3-dichlorobenzoate.
Chemical Property Profile of 2,3-二氯苯甲酸 1-甲基乙酯
Property Insights of 2,3-二氯苯甲酸 1-甲基乙酯
The XLogP value of 3.8 indicates that 2,3-二氯苯甲酸 1-甲基乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,3-二氯苯甲酸 1-甲基乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-二氯苯甲酸 1-甲基乙酯 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 2,3-二氯苯甲酸 1-甲基乙酯?
The CAS number of 2,3-二氯苯甲酸 1-甲基乙酯 is 130189-78-5.
What is the molecular formula of 2,3-二氯苯甲酸 1-甲基乙酯?
The molecular formula of 2,3-二氯苯甲酸 1-甲基乙酯 is C10H10Cl2O2.
What is the molecular weight of 2,3-二氯苯甲酸 1-甲基乙酯?
The molecular weight of 2,3-二氯苯甲酸 1-甲基乙酯 is 232.01 g/mol.
Where can I buy 2,3-二氯苯甲酸 1-甲基乙酯?
You can request a quote for 2,3-二氯苯甲酸 1-甲基乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-二氯苯甲酸 1-甲基乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2,3-二氯苯甲酸 1-甲基乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.