4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine
TL;DR: 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine (CAS 62934-56-9) is a chemical compound with molecular formula C12H22N+ and molecular weight 180.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methylidene-4-(2-methylpropyl)-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
Also Known As: 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine, 4-Isobutyl-1-methyleneoctahydro-4.lambda.~5~-pyrrolizine, 4-isobutyl-7-methylene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium, 7-methylidene-4-(2-methylpropyl)-1,2,3,5,6,8-hexahydropyrrolizin-4-ium
| Molecular Formula | C12H22N+ |
|---|---|
| Molecular Weight | 180.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.17523 |
| Heavy Atoms | 13 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 62934-56-9 |
|---|---|
| SMILES | CC(C)C[N+]12CCCC1C(=C)CC2 |
| InChIKey | RRYTXTXVEOAGSS-UHFFFAOYSA-N |
Product Overview
4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine (CAS 62934-56-9), with molecular formula C12H22N+ and molecular weight 180.18 g/mol. IUPAC: 7-methylidene-4-(2-methylpropyl)-1,2,3,5,6,8-hexahydropyrrolizin-4-ium.
Chemical Property Profile of 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine
Property Insights of 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine has 0 hydrogen bond donor(s) and 0 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 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine?
The CAS number of 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine is 62934-56-9.
What is the molecular formula of 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine?
The molecular formula of 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine is C12H22N+.
What is the molecular weight of 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine?
The molecular weight of 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine is 180.18 g/mol.
Where can I buy 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine?
You can request a quote for 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine?
Yes, KEHONG BIO provides custom synthesis services for 4-Isobutyl-1-methyleneoctahydro-4lambda(5)-pyrrolizine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.