3,4-Dehydroproline
TL;DR: 3,4-Dehydroproline (CAS 3395-35-5) is a chemical compound with molecular formula C5H7NO2 and molecular weight 113.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dihydro-1H-pyrrole-2-carboxylic acid
Also Known As: 2,5-Dihydro-1H-pyrrole-2-carboxylic acid, 3,4-Dehydro-DL-proline, 3,4-Dehydroproline, Dehydroproline, dehydro proline
| Molecular Formula | C5H7NO2 |
|---|---|
| Molecular Weight | 113.05 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 3395-35-5 |
|---|---|
| SMILES | C1C=CC(N1)C(=O)O |
| InChIKey | OMGHIGVFLOPEHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dehydroproline (CAS 3395-35-5), with molecular formula C5H7NO2 and molecular weight 113.05 g/mol. IUPAC: 2,5-dihydro-1H-pyrrole-2-carboxylic acid.
Chemical Property Profile of 3,4-Dehydroproline
Property Insights of 3,4-Dehydroproline
The XLogP value of -2.5 indicates that 3,4-Dehydroproline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, 3,4-Dehydroproline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dehydroproline has 2 hydrogen bond donor(s) and 3 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 3,4-Dehydroproline?
The CAS number of 3,4-Dehydroproline is 3395-35-5.
What is the molecular formula of 3,4-Dehydroproline?
The molecular formula of 3,4-Dehydroproline is C5H7NO2.
What is the molecular weight of 3,4-Dehydroproline?
The molecular weight of 3,4-Dehydroproline is 113.05 g/mol.
Where can I buy 3,4-Dehydroproline?
You can request a quote for 3,4-Dehydroproline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dehydroproline?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dehydroproline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.