N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester
TL;DR: N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester (CAS 95755-29-6) is a chemical compound with molecular formula C17H28N2O5 and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-[[(Z)-1-methoxy-4-methyl-1-oxopent-2-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Also Known As: Nbpdlo, N-Boc-pro-dehydro-leu-och3, N-Butyloxycarbonyl-prolyl-dehydroleucine methyl ester, tert-butyl (2S)-2-[[(Z)-1-methoxy-4-methyl-1-oxopent-2-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate, RefChem:163064
| Molecular Formula | C17H28N2O5 |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 2.215 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.19983 |
| Heavy Atoms | 24 |
| Complexity | 519.56415 |
Chemical Identifiers
| CAS Number | 95755-29-6 |
|---|---|
| SMILES | CC(C)/C=C(/C(=O)OC)\NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C |
Product Overview
N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester (CAS 95755-29-6), with molecular formula C17H28N2O5 and molecular weight 340.20 g/mol. IUPAC: tert-butyl (2S)-2-[[(Z)-1-methoxy-4-methyl-1-oxopent-2-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
Chemical Property Profile of N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester
Property Insights of N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester
The XLogP value of 2.215 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester. Following Lipinski's Rule of Five, N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester has 1 hydrogen bond donor(s) and 5 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 N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester?
The CAS number of N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester is 95755-29-6.
What is the molecular formula of N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester?
The molecular formula of N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester is C17H28N2O5.
What is the molecular weight of N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester?
The molecular weight of N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester is 340.20 g/mol.
Where can I buy N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester?
You can request a quote for N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-butyloxycarbonyl-prolyl-dehydroleucine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.