t-Butyloxycarbonyl-alanyl-prolinal
TL;DR: t-Butyloxycarbonyl-alanyl-prolinal (CAS 99952-45-1) is a chemical compound with molecular formula C13H22N2O4 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
Also Known As: t-Butyloxycarbonyl-alanyl-prolinal, TERT-BUTYLOXYCARBONYL-ALANYL-PROLINAL, Carbamic acid, (2-(2-formyl-1-pyrrolidinyl)-1-methyl-2-oxoethyl)-, 1,1-dimethylethyl ester, (S-(R*,R*))-, tert-butyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate, tert-Butyl {(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl}carbamate
| Molecular Formula | C13H22N2O4 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 1.0895 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.15796 |
| Heavy Atoms | 19 |
| Complexity | 362.14493 |
Chemical Identifiers
| CAS Number | 99952-45-1 |
|---|---|
| SMILES | C[C@@H](C(=O)N1CCC[C@H]1C=O)NC(=O)OC(C)(C)C |
Product Overview
t-Butyloxycarbonyl-alanyl-prolinal (CAS 99952-45-1), with molecular formula C13H22N2O4 and molecular weight 270.16 g/mol. IUPAC: tert-butyl N-[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of t-Butyloxycarbonyl-alanyl-prolinal
Property Insights of t-Butyloxycarbonyl-alanyl-prolinal
The XLogP value of 1.0895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for t-Butyloxycarbonyl-alanyl-prolinal. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for t-Butyloxycarbonyl-alanyl-prolinal. Following Lipinski's Rule of Five, t-Butyloxycarbonyl-alanyl-prolinal has 1 hydrogen bond donor(s) and 4 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 t-Butyloxycarbonyl-alanyl-prolinal?
The CAS number of t-Butyloxycarbonyl-alanyl-prolinal is 99952-45-1.
What is the molecular formula of t-Butyloxycarbonyl-alanyl-prolinal?
The molecular formula of t-Butyloxycarbonyl-alanyl-prolinal is C13H22N2O4.
What is the molecular weight of t-Butyloxycarbonyl-alanyl-prolinal?
The molecular weight of t-Butyloxycarbonyl-alanyl-prolinal is 270.16 g/mol.
Where can I buy t-Butyloxycarbonyl-alanyl-prolinal?
You can request a quote for t-Butyloxycarbonyl-alanyl-prolinal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for t-Butyloxycarbonyl-alanyl-prolinal?
Yes, KEHONG BIO provides custom synthesis services for t-Butyloxycarbonyl-alanyl-prolinal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.