(4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯
TL;DR: (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯 (CAS 133636-98-3) is a chemical compound with molecular formula C15H17ClFNO4 and molecular weight 329.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯
(4-chloro-2-fluoro-5-propan-2-yloxycarbonylphenyl) pyrrolidine-1-carboxylate
Also Known As: (4-Chloro-2-fluoro-5-propan-2-yloxycarbonylphenyl)pyrrolidine-1-carboxylate, (4-chloro-2-fluoro-5-propan-2-yloxycarbonyl-phenyl) Pyrrolidine-1-carboxylate, (4-chloro-2-fluoro-5-propan-2-yloxycarbonylphenyl) pyrrolidine-1-carboxylate, 2-Chloro-4-fluoro-5-[(1-pyrrolidinylcarbonyl)oxy]benzoic acid isopropyl ester, 4-chloro-2-fluoro-5-[(propan-2-yloxy)carbonyl]phenyl pyrrolidine-1-carboxylate
| Molecular Formula | C15H17ClFNO4 |
|---|---|
| Molecular Weight | 329.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.083 |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 133636-98-3 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)OC(=O)N2CCCC2 |
| InChIKey | ZNZSIWMFOKUCMG-UHFFFAOYSA-N |
Product Overview
(4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯 (CAS 133636-98-3), with molecular formula C15H17ClFNO4 and molecular weight 329.08 g/mol. IUPAC: (4-chloro-2-fluoro-5-propan-2-yloxycarbonylphenyl) pyrrolidine-1-carboxylate.
Chemical Property Profile of (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯
Property Insights of (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯
The XLogP value of 3.6 indicates that (4-氯-2-氟-5-异丙氧基羰基苯基)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, (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯 has 0 hydrogen bond donor(s) and 5 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 (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯?
The CAS number of (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯 is 133636-98-3.
What is the molecular formula of (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯?
The molecular formula of (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯 is C15H17ClFNO4.
What is the molecular weight of (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯?
The molecular weight of (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯 is 329.08 g/mol.
Where can I buy (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯?
You can request a quote for (4-氯-2-氟-5-异丙氧基羰基苯基)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 (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯?
Yes, KEHONG BIO provides custom synthesis services for (4-氯-2-氟-5-异丙氧基羰基苯基)吡咯烷-1-甲酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.