BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu
TL;DR: BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu (CAS 127749-98-8) is a chemical compound with molecular formula C32H43N5O5 and molecular weight 577.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-cyano-1-oxopropan-2-yl]carbamate
Also Known As: BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu, BzOC(CNAla)Phe[CHOHCH2]PipCONHtBu, Carbamic acid, (1-(cyanomethyl)-2-((3-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)-2-oxoethyl)-, phenylmethyl ester, (2S-(1(1R*(R*),2S*),2R*))-, 1-(BenzyloxycarbonylcyanoalanyldecarbonylPhe(hydroxyethyl))-2-(N-tertbutylcarbamoyl)piperidine, benzyl N-[(2S)-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-cyano-1-oxopropan-2-yl]carbamate
| Molecular Formula | C32H43N5O5 |
|---|---|
| Molecular Weight | 577.33 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 577.3264 |
| Heavy Atoms | 42 |
| Complexity | 916.0 |
Chemical Identifiers
| CAS Number | 127749-98-8 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC#N)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | VKZMULLAGUUFSH-LAJGZZDBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu (CAS 127749-98-8), with molecular formula C32H43N5O5 and molecular weight 577.33 g/mol. IUPAC: benzyl N-[(2S)-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-cyano-1-oxopropan-2-yl]carbamate.
Chemical Property Profile of BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu
Property Insights of BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu
The XLogP value of 3.2 indicates that BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu?
The CAS number of BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu is 127749-98-8.
What is the molecular formula of BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu?
The molecular formula of BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu is C32H43N5O5.
What is the molecular weight of BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu?
The molecular weight of BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu is 577.33 g/mol.
Where can I buy BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu?
You can request a quote for BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu?
Yes, KEHONG BIO provides custom synthesis services for BzOC(CNAla)Phe(CHOHCH2)PipCONHtBu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.