4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide
TL;DR: 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide (CAS 54800-65-6) is a chemical compound with molecular formula C14H26BrN and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexan-3-yl-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium bromide
Also Known As: N-Hexyl bromide of 1-methylenepyrrolizidine, (S)-4-Hexyl-1-methylenehexahydro-1H-pyrrolizinium bromide, 1H-Pyrrolizinium, hexahydro-4-hexyl-1-methylene-, bromide, (S)-, 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide, 4-hexan-3-yl-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium bromide
| Molecular Formula | C14H26BrN |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 0.5082 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.12485 |
| Heavy Atoms | 16 |
| Complexity | 251.1199 |
Chemical Identifiers
| CAS Number | 54800-65-6 |
|---|---|
| SMILES | CCCC(CC)[N+]12CCCC1C(=C)CC2.[Br-] |
Product Overview
4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide (CAS 54800-65-6), with molecular formula C14H26BrN and molecular weight 287.12 g/mol. IUPAC: 4-hexan-3-yl-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium bromide.
Chemical Property Profile of 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide
Property Insights of 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide
The XLogP value of 0.5082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide. With a topological polar surface area (TPSA) of 0.0 Ų, 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide 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-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide?
The CAS number of 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide is 54800-65-6.
What is the molecular formula of 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide?
The molecular formula of 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide is C14H26BrN.
What is the molecular weight of 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide?
The molecular weight of 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide is 287.12 g/mol.
Where can I buy 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide?
You can request a quote for 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hexan-3-yl)-1-methylidenehexahydro-1H-pyrrolizin-4-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.