Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate
TL;DR: Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate (CAS 785717-57-9) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-dihydro-1H-pyrrole-2-carboxylate
Also Known As: Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate, dl-3,4-Dehydroproline methyl ester, Methyl2,5-dihydro-1H-pyrrole-2-carboxylate, Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate #
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 785717-57-9 |
|---|---|
| SMILES | COC(=O)C1C=CCN1 |
| InChIKey | COLQEKJVIARUEA-UHFFFAOYSA-N |
Product Overview
Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate (CAS 785717-57-9), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: methyl 2,5-dihydro-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate
Property Insights of Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate has 1 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 Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate?
The CAS number of Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate is 785717-57-9.
What is the molecular formula of Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate?
The molecular formula of Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate is C6H9NO2.
What is the molecular weight of Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate?
The molecular weight of Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate is 127.06 g/mol.
Where can I buy Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate?
You can request a quote for Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,5-dihydro-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.