1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride
TL;DR: 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride (CAS 41593-98-0) is a chemical compound with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-ylpropan-2-yl benzoate;hydrochloride
Also Known As: KST-1B4139, 1-(1-Pyrrolidinyl)-2-propanol benzoate hydrochloride, 1-pyrrolidin-1-ylpropan-2-yl benzoate hydrochloride, alpha-Methyl-1-pyrrolidineethanol benzoate (ester) hydrochloride, 1-(pyrrolidin-1-yl)propan-2-yl benzoate hydrochloride(1:1)
| Molecular Formula | C14H20ClNO2 |
|---|---|
| Molecular Weight | 269.12 g/mol |
| LogP | 2.7495 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.11826 |
| Heavy Atoms | 18 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 41593-98-0 |
|---|---|
| SMILES | CC(CN1CCCC1)OC(=O)C2=CC=CC=C2.Cl |
| InChIKey | WOWNYUXFUBQYQP-UHFFFAOYSA-N |
Product Overview
1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride (CAS 41593-98-0), with molecular formula C14H20ClNO2 and molecular weight 269.12 g/mol. IUPAC: 1-pyrrolidin-1-ylpropan-2-yl benzoate;hydrochloride.
Chemical Property Profile of 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride
Property Insights of 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride
The XLogP value of 2.7495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride has 1 hydrogen bond donor(s) and 3 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 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride?
The CAS number of 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride is 41593-98-0.
What is the molecular formula of 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride?
The molecular formula of 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride is C14H20ClNO2.
What is the molecular weight of 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride?
The molecular weight of 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride is 269.12 g/mol.
Where can I buy 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride?
You can request a quote for 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Pyrrolidineethanol, alpha-methyl-, benzoate (ester), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.