(2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯
TL;DR: (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯 (CAS 133636-94-9) is a chemical compound with molecular formula C13H13Cl2NO4 and molecular weight 317.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯
(2,4-dichloro-5-methoxycarbonylphenyl) pyrrolidine-1-carboxylate
Also Known As: (2,4-Dichloro-5-methoxycarbonylphenyl) pyrrolidine-1-carboxylate, 2,4-dichloro-5-(methoxycarbonyl)phenyl pyrrolidine-1-carboxylate, (2,4-dichloro-5-methoxycarbonyl-phenyl) Pyrrolidine-1-carboxylate, 2,4-Dichloro-5-[(1-pyrrolidinylcarbonyl)oxy]benzoic acid methyl ester
| Molecular Formula | C13H13Cl2NO4 |
|---|---|
| Molecular Weight | 317.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.02216 |
| Heavy Atoms | 20 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 133636-94-9 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1Cl)Cl)OC(=O)N2CCCC2 |
| InChIKey | BPQXNPHLLKUBTL-UHFFFAOYSA-N |
Product Overview
(2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯 (CAS 133636-94-9), with molecular formula C13H13Cl2NO4 and molecular weight 317.02 g/mol. IUPAC: (2,4-dichloro-5-methoxycarbonylphenyl) pyrrolidine-1-carboxylate.
Chemical Property Profile of (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯
Property Insights of (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯
The XLogP value of 3.3 indicates that (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯 has 0 hydrogen bond donor(s) and 4 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 (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯?
The CAS number of (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯 is 133636-94-9.
What is the molecular formula of (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯?
The molecular formula of (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯 is C13H13Cl2NO4.
What is the molecular weight of (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯?
The molecular weight of (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯 is 317.02 g/mol.
Where can I buy (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯?
You can request a quote for (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for (2,4-二氯-5-甲氧基羰基苯基)吡咯烷-1-甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.