tert-Butyl L-prolinate hydrochloride
TL;DR: tert-Butyl L-prolinate hydrochloride (CAS 5497-76-7) is a chemical compound with molecular formula C9H18ClNO2 and molecular weight 207.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-pyrrolidine-2-carboxylate;hydrochloride
Also Known As: H-Pro-OtBu.HCl, H-PRO-OTBU HCL, Pro-OtBu HCl, tert-Butyl L-prolinate hydrochloride, L-Proline tert-Butyl Ester Hydrochloride
| Molecular Formula | C9H18ClNO2 |
|---|---|
| Molecular Weight | 207.10 g/mol |
| LogP | 1.5019 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.1026 |
| Heavy Atoms | 13 |
| Complexity | 170.94374 |
Chemical Identifiers
| CAS Number | 5497-76-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)[C@@H]1CCCN1.Cl |
Product Overview
tert-Butyl L-prolinate hydrochloride (CAS 5497-76-7), with molecular formula C9H18ClNO2 and molecular weight 207.10 g/mol. IUPAC: tert-butyl (2S)-pyrrolidine-2-carboxylate;hydrochloride.
Chemical Property Profile of tert-Butyl L-prolinate hydrochloride
Property Insights of tert-Butyl L-prolinate hydrochloride
The XLogP value of 1.5019 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl L-prolinate hydrochloride. With a topological polar surface area (TPSA) of 38.33 Ų, tert-Butyl L-prolinate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl L-prolinate 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 tert-Butyl L-prolinate hydrochloride?
The CAS number of tert-Butyl L-prolinate hydrochloride is 5497-76-7.
What is the molecular formula of tert-Butyl L-prolinate hydrochloride?
The molecular formula of tert-Butyl L-prolinate hydrochloride is C9H18ClNO2.
What is the molecular weight of tert-Butyl L-prolinate hydrochloride?
The molecular weight of tert-Butyl L-prolinate hydrochloride is 207.10 g/mol.
Where can I buy tert-Butyl L-prolinate hydrochloride?
You can request a quote for tert-Butyl L-prolinate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl L-prolinate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl L-prolinate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.