Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester
TL;DR: Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester (CAS 127749-92-2) is a chemical compound with molecular formula C37H53N5O8 and molecular weight 695.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate
Also Known As: BzOCLeuAsnPhe(CHOHCH2)ProOtBu, BzOCLeuAsnPhe[CHOHCH2]ProOtBu, Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester, Benzyloxycarbonyl-LeuAsnPhe[hydroxyethyl]Proline-tertbutyl ester, L-Aspartamide, N-((phenylmethoxy)carbonyl)-L-leucyl-N1-(3-(2-((1,1-dimethylethoxy)carbonyl)-1-pyrrolidinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, (2S-(1(1R*,2S*),2R*))-
| Molecular Formula | C37H53N5O8 |
|---|---|
| Molecular Weight | 695.39 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 20 |
| Exact Mass | 695.3894 |
| Heavy Atoms | 50 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 127749-92-2 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CN2CCC[C@H]2C(=O)OC(C)(C)C)O)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | HIJBDIINBYZCQT-STVCLKQXSA-N |
Product Overview
Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester (CAS 127749-92-2), with molecular formula C37H53N5O8 and molecular weight 695.39 g/mol. IUPAC: tert-butyl (2S)-1-[(2R,3S)-3-[[(2S)-4-amino-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate.
Chemical Property Profile of Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester
Property Insights of Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester
The XLogP value of 3.6 indicates that Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester?
The CAS number of Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester is 127749-92-2.
What is the molecular formula of Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester?
The molecular formula of Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester is C37H53N5O8.
What is the molecular weight of Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester?
The molecular weight of Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester is 695.39 g/mol.
Where can I buy Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester?
You can request a quote for Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzyloxycarbonyl-LeuAsnPhe(hydroxyethyl)Proline-tertbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.