tert-butyl L-prolinate
TL;DR: tert-butyl L-prolinate (CAS 2812-46-6) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl pyrrolidine-2-carboxylate
Also Known As: H-Pro-OtBu, tert-butyl prolinate, tert-butyl pyrrolidine-2-carboxylate, tert-Butyl L-prolinate, H-D-PRO-OTBU
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 2812-46-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1CCCN1 |
| InChIKey | XJJBXZIKXFOMLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-butyl L-prolinate (CAS 2812-46-6), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: tert-butyl pyrrolidine-2-carboxylate.
Chemical Property Profile of tert-butyl L-prolinate
Property Insights of tert-butyl L-prolinate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl L-prolinate. With a topological polar surface area (TPSA) of 38.3 Ų, tert-butyl L-prolinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl L-prolinate 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?
The CAS number of tert-butyl L-prolinate is 2812-46-6.
What is the molecular formula of tert-butyl L-prolinate?
The molecular formula of tert-butyl L-prolinate is C9H17NO2.
What is the molecular weight of tert-butyl L-prolinate?
The molecular weight of tert-butyl L-prolinate is 171.13 g/mol.
Where can I buy tert-butyl L-prolinate?
You can request a quote for tert-butyl L-prolinate 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?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl L-prolinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.