1-Methoxycarbonyl-3-pyrroline
TL;DR: 1-Methoxycarbonyl-3-pyrroline (CAS 63603-33-8) 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-dihydropyrrole-1-carboxylate
Also Known As: 1-Methoxycarbonyl-3-pyrroline, methyl 3-pyrrolinecarboxylate, methyl 2,5-dihydropyrrole-1-carboxylate, methyl 2,5-dihydro-1H-pyrrole-1-carboxylate, 1H-Pyrrole-1-carboxylic acid, 2,5-dihydro-, methyl ester
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 0.6246 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 133.99329 |
Chemical Identifiers
| CAS Number | 63603-33-8 |
|---|---|
| SMILES | COC(=O)N1CC=CC1 |
Product Overview
1-Methoxycarbonyl-3-pyrroline (CAS 63603-33-8), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: methyl 2,5-dihydropyrrole-1-carboxylate.
Chemical Property Profile of 1-Methoxycarbonyl-3-pyrroline
Property Insights of 1-Methoxycarbonyl-3-pyrroline
The XLogP value of 0.6246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methoxycarbonyl-3-pyrroline. With a topological polar surface area (TPSA) of 29.54 Ų, 1-Methoxycarbonyl-3-pyrroline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methoxycarbonyl-3-pyrroline has 0 hydrogen bond donor(s) and 2 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 1-Methoxycarbonyl-3-pyrroline?
The CAS number of 1-Methoxycarbonyl-3-pyrroline is 63603-33-8.
What is the molecular formula of 1-Methoxycarbonyl-3-pyrroline?
The molecular formula of 1-Methoxycarbonyl-3-pyrroline is C6H9NO2.
What is the molecular weight of 1-Methoxycarbonyl-3-pyrroline?
The molecular weight of 1-Methoxycarbonyl-3-pyrroline is 127.06 g/mol.
Where can I buy 1-Methoxycarbonyl-3-pyrroline?
You can request a quote for 1-Methoxycarbonyl-3-pyrroline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methoxycarbonyl-3-pyrroline?
Yes, KEHONG BIO provides custom synthesis services for 1-Methoxycarbonyl-3-pyrroline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.