t-Butyloxycarbonyl-asparaginylproline benzyl ester
TL;DR: t-Butyloxycarbonyl-asparaginylproline benzyl ester (CAS 35930-84-8) is a chemical compound with molecular formula C21H29N3O6 and molecular weight 419.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-1-[(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxylate
Also Known As: Boc-apobzl, Boc-L-asn-L-pro-obzl, t-Butyloxycarbonyl-asparaginylproline benzyl ester, t-butyloxycarbonyl-asparaginylprolinebenzylester, Benzyl N~2~-(tert-butoxycarbonyl)-L-asparaginyl-L-prolinate
| Molecular Formula | C21H29N3O6 |
|---|---|
| Molecular Weight | 419.21 g/mol |
| LogP | 1.4895 |
| Topological Polar Surface Area | 128.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.20563 |
| Heavy Atoms | 30 |
| Complexity | 774.6964 |
Chemical Identifiers
| CAS Number | 35930-84-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)OCC2=CC=CC=C2 |
Product Overview
t-Butyloxycarbonyl-asparaginylproline benzyl ester (CAS 35930-84-8), with molecular formula C21H29N3O6 and molecular weight 419.21 g/mol. IUPAC: benzyl (2S)-1-[(2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of t-Butyloxycarbonyl-asparaginylproline benzyl ester
Property Insights of t-Butyloxycarbonyl-asparaginylproline benzyl ester
The XLogP value of 1.4895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for t-Butyloxycarbonyl-asparaginylproline benzyl ester. The TPSA of 128.03 Ų falls within the moderate polarity range, balancing permeability and solubility for t-Butyloxycarbonyl-asparaginylproline benzyl ester. Following Lipinski's Rule of Five, t-Butyloxycarbonyl-asparaginylproline benzyl ester has 2 hydrogen bond donor(s) and 6 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-asparaginylproline benzyl ester?
The CAS number of t-Butyloxycarbonyl-asparaginylproline benzyl ester is 35930-84-8.
What is the molecular formula of t-Butyloxycarbonyl-asparaginylproline benzyl ester?
The molecular formula of t-Butyloxycarbonyl-asparaginylproline benzyl ester is C21H29N3O6.
What is the molecular weight of t-Butyloxycarbonyl-asparaginylproline benzyl ester?
The molecular weight of t-Butyloxycarbonyl-asparaginylproline benzyl ester is 419.21 g/mol.
Where can I buy t-Butyloxycarbonyl-asparaginylproline benzyl ester?
You can request a quote for t-Butyloxycarbonyl-asparaginylproline benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for t-Butyloxycarbonyl-asparaginylproline benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for t-Butyloxycarbonyl-asparaginylproline benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.