1-Octadecyl-3-pyrrolidinemethanol
TL;DR: 1-Octadecyl-3-pyrrolidinemethanol (CAS 125131-66-0) is a chemical compound with molecular formula C23H48ClNO and molecular weight 389.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-octadecylpyrrolidin-3-yl)methanol;hydrochloride
Also Known As: 1-Octadecyl-3-pyrrolidinemethanol, 1-Octadecyl-3-pyrrolidinemethanol hydrochloride, Ro-31-4493, (1-octadecylpyrrolidin-3-yl)methanol, Ro 31-4493
| Molecular Formula | C23H48ClNO |
|---|---|
| Molecular Weight | 389.34 g/mol |
| LogP | 6.9839 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Exact Mass | 389.34244 |
| Heavy Atoms | 26 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 125131-66-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN1CCC(C1)CO.Cl |
| InChIKey | NVFVTUWFUPCBGA-UHFFFAOYSA-N |
Product Overview
1-Octadecyl-3-pyrrolidinemethanol (CAS 125131-66-0), with molecular formula C23H48ClNO and molecular weight 389.34 g/mol. IUPAC: (1-octadecylpyrrolidin-3-yl)methanol;hydrochloride.
Chemical Property Profile of 1-Octadecyl-3-pyrrolidinemethanol
Property Insights of 1-Octadecyl-3-pyrrolidinemethanol
The XLogP value of 6.9839 indicates that 1-Octadecyl-3-pyrrolidinemethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 1-Octadecyl-3-pyrrolidinemethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octadecyl-3-pyrrolidinemethanol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Octadecyl-3-pyrrolidinemethanol?
The CAS number of 1-Octadecyl-3-pyrrolidinemethanol is 125131-66-0.
What is the molecular formula of 1-Octadecyl-3-pyrrolidinemethanol?
The molecular formula of 1-Octadecyl-3-pyrrolidinemethanol is C23H48ClNO.
What is the molecular weight of 1-Octadecyl-3-pyrrolidinemethanol?
The molecular weight of 1-Octadecyl-3-pyrrolidinemethanol is 389.34 g/mol.
Where can I buy 1-Octadecyl-3-pyrrolidinemethanol?
You can request a quote for 1-Octadecyl-3-pyrrolidinemethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octadecyl-3-pyrrolidinemethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-Octadecyl-3-pyrrolidinemethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.