BzOCAsnPhe(CHOHCH2)PipCONHtBu
TL;DR: BzOCAsnPhe(CHOHCH2)PipCONHtBu (CAS 127749-97-7) is a chemical compound with molecular formula C32H45N5O6 and molecular weight 595.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Also Known As: BzOCAsnPhe(CHOHCH2)PipCONHtBu, Ro 31-8959 deriv., BzOCAsnPhe[CHOHCH2]PipCONHtBu, Z-Asn-Phe-psi [CH(OH)CH2N]PIC-NH-tBu, Carbamic acid, (3-amino-1-(((3-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-piperidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)carbonyl)-3-oxopropyl)-, phenylmethyl ester, (2S-(1(1R*(R*),2S*),2R*))-
| Molecular Formula | C32H45N5O6 |
|---|---|
| Molecular Weight | 595.34 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 595.337 |
| Heavy Atoms | 43 |
| Complexity | 912.0 |
Chemical Identifiers
| CAS Number | 127749-97-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1CCCCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | WWANYGDDKRZWHZ-YIPNQBBMSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BzOCAsnPhe(CHOHCH2)PipCONHtBu (CAS 127749-97-7), with molecular formula C32H45N5O6 and molecular weight 595.34 g/mol. IUPAC: benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate.
Chemical Property Profile of BzOCAsnPhe(CHOHCH2)PipCONHtBu
Property Insights of BzOCAsnPhe(CHOHCH2)PipCONHtBu
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BzOCAsnPhe(CHOHCH2)PipCONHtBu. The TPSA of 163.0 Ų indicates high polarity, suggesting BzOCAsnPhe(CHOHCH2)PipCONHtBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BzOCAsnPhe(CHOHCH2)PipCONHtBu has 5 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 BzOCAsnPhe(CHOHCH2)PipCONHtBu?
The CAS number of BzOCAsnPhe(CHOHCH2)PipCONHtBu is 127749-97-7.
What is the molecular formula of BzOCAsnPhe(CHOHCH2)PipCONHtBu?
The molecular formula of BzOCAsnPhe(CHOHCH2)PipCONHtBu is C32H45N5O6.
What is the molecular weight of BzOCAsnPhe(CHOHCH2)PipCONHtBu?
The molecular weight of BzOCAsnPhe(CHOHCH2)PipCONHtBu is 595.34 g/mol.
Where can I buy BzOCAsnPhe(CHOHCH2)PipCONHtBu?
You can request a quote for BzOCAsnPhe(CHOHCH2)PipCONHtBu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BzOCAsnPhe(CHOHCH2)PipCONHtBu?
Yes, KEHONG BIO provides custom synthesis services for BzOCAsnPhe(CHOHCH2)PipCONHtBu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.