4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride
TL;DR: 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride (CAS 60198-90-5) is a chemical compound with molecular formula C10H19Cl2N and molecular weight 223.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,8S)-4-(2-chloroethyl)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium chloride
Also Known As: N-(2'-Chloroethyl)heliotridane chloride, (1S-(1-alpha,7a-beta))-Hexahydro-4-(2-chloroethyl)-1-methyl-1H-pyrrolizinium chloride, 1H-Pyrrolizinium, hexahydro-4-(2-chloroethyl)-1-methyl-, chloride, (1S-(1-alpha,7a-beta))-, 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride, (1S,7aS)-4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride
| Molecular Formula | C10H19Cl2N |
|---|---|
| Molecular Weight | 223.09 g/mol |
| LogP | -0.7518 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.08946 |
| Heavy Atoms | 13 |
| Complexity | 170.30768 |
Chemical Identifiers
| CAS Number | 60198-90-5 |
|---|---|
| SMILES | C[C@H]1CC[N+]2([C@H]1CCC2)CCCl.[Cl-] |
Product Overview
4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride (CAS 60198-90-5), with molecular formula C10H19Cl2N and molecular weight 223.09 g/mol. IUPAC: (1S,8S)-4-(2-chloroethyl)-1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium chloride.
Chemical Property Profile of 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride
Property Insights of 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride
The XLogP value of -0.7518 indicates that 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride 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-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride?
The CAS number of 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride is 60198-90-5.
What is the molecular formula of 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride?
The molecular formula of 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride is C10H19Cl2N.
What is the molecular weight of 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride?
The molecular weight of 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride is 223.09 g/mol.
Where can I buy 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride?
You can request a quote for 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloroethyl)-1-methylhexahydro-1H-pyrrolizin-4-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.