3-(4-Methoxybenzyl)pyrrolidine
TL;DR: 3-(4-Methoxybenzyl)pyrrolidine (CAS 1003561-92-9) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methyl]pyrrolidine
Also Known As: 3-(4-METHOXYBENZYL)PYRROLIDINE, 3-[(4-methoxyphenyl)methyl]pyrrolidine, Pyrrolidine, 3-[(4-methoxyphenyl)methyl]-, 3-[(4-METHOXYPHENYL)METHYL]-PYRROLIDINE
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 1.8472 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 274.87814 |
Chemical Identifiers
| CAS Number | 1003561-92-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2CCNC2 |
Product Overview
3-(4-Methoxybenzyl)pyrrolidine (CAS 1003561-92-9), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 3-[(4-methoxyphenyl)methyl]pyrrolidine.
Chemical Property Profile of 3-(4-Methoxybenzyl)pyrrolidine
Property Insights of 3-(4-Methoxybenzyl)pyrrolidine
The XLogP value of 1.8472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methoxybenzyl)pyrrolidine. With a topological polar surface area (TPSA) of 21.26 Ų, 3-(4-Methoxybenzyl)pyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methoxybenzyl)pyrrolidine has 1 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 3-(4-Methoxybenzyl)pyrrolidine?
The CAS number of 3-(4-Methoxybenzyl)pyrrolidine is 1003561-92-9.
What is the molecular formula of 3-(4-Methoxybenzyl)pyrrolidine?
The molecular formula of 3-(4-Methoxybenzyl)pyrrolidine is C12H17NO.
What is the molecular weight of 3-(4-Methoxybenzyl)pyrrolidine?
The molecular weight of 3-(4-Methoxybenzyl)pyrrolidine is 191.13 g/mol.
Where can I buy 3-(4-Methoxybenzyl)pyrrolidine?
You can request a quote for 3-(4-Methoxybenzyl)pyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methoxybenzyl)pyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methoxybenzyl)pyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.