吡咯烷-2,4-二甲酸
TL;DR: 吡咯烷-2,4-二甲酸 (CAS 99319-03-6) is a chemical compound with molecular formula C6H9NO4 and molecular weight 159.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡咯烷-2,4-二甲酸
pyrrolidine-2,4-dicarboxylic acid
Also Known As: Pyrrolidine-2,4-dicarboxylic acid, Thiohexam, 2,4-Pyrrolidinedicarboxylic acid, Pdc-2,4, t-PDC
| Molecular Formula | C6H9NO4 |
|---|---|
| Molecular Weight | 159.05 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.05316 |
| Heavy Atoms | 11 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 99319-03-6 |
|---|---|
| SMILES | C1C(CNC1C(=O)O)C(=O)O |
| InChIKey | NRSBQSJHFYZIPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡咯烷-2,4-二甲酸 (CAS 99319-03-6), with molecular formula C6H9NO4 and molecular weight 159.05 g/mol. IUPAC: pyrrolidine-2,4-dicarboxylic acid.
Chemical Property Profile of 吡咯烷-2,4-二甲酸
Property Insights of 吡咯烷-2,4-二甲酸
The XLogP value of -3.2 indicates that 吡咯烷-2,4-二甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 吡咯烷-2,4-二甲酸. Following Lipinski's Rule of Five, 吡咯烷-2,4-二甲酸 has 3 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 吡咯烷-2,4-二甲酸?
The CAS number of 吡咯烷-2,4-二甲酸 is 99319-03-6.
What is the molecular formula of 吡咯烷-2,4-二甲酸?
The molecular formula of 吡咯烷-2,4-二甲酸 is C6H9NO4.
What is the molecular weight of 吡咯烷-2,4-二甲酸?
The molecular weight of 吡咯烷-2,4-二甲酸 is 159.05 g/mol.
Where can I buy 吡咯烷-2,4-二甲酸?
You can request a quote for 吡咯烷-2,4-二甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡咯烷-2,4-二甲酸?
Yes, KEHONG BIO provides custom synthesis services for 吡咯烷-2,4-二甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.