BzOCAsnPhe(CHOHCH2)ProNH-tBu
TL;DR: BzOCAsnPhe(CHOHCH2)ProNH-tBu (CAS 127749-95-5) is a chemical compound with molecular formula C31H43N5O6 and molecular weight 581.32 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)pyrrolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Also Known As: BzOCAsnPhe(CHOHCH2)ProNH-tBu, Z-Asn-Phe-psi [CH(OH)CH2N]Pro-NH-tBu, N-Benzyloxycarbonyl Asn(decarbonylPhe-hydroxyethyl)ProNHtertBu, Carbamic acid, (3-amino-1-(((3-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-pyrrolidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)carbonyl)-3-oxopropyl)-, phenylmethyl ester, (2S-(1(1R*(R*),2S*),2R*))-, benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
| Molecular Formula | C31H43N5O6 |
|---|---|
| Molecular Weight | 581.32 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 581.32135 |
| Heavy Atoms | 42 |
| Complexity | 897.0 |
Chemical Identifiers
| CAS Number | 127749-95-5 |
|---|---|
| SMILES | CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | AYCYZZNXUWCCBA-ASDGIDEWSA-N |
Product Overview
BzOCAsnPhe(CHOHCH2)ProNH-tBu (CAS 127749-95-5), with molecular formula C31H43N5O6 and molecular weight 581.32 g/mol. IUPAC: benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate.
Chemical Property Profile of BzOCAsnPhe(CHOHCH2)ProNH-tBu
Property Insights of BzOCAsnPhe(CHOHCH2)ProNH-tBu
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BzOCAsnPhe(CHOHCH2)ProNH-tBu. The TPSA of 163.0 Ų indicates high polarity, suggesting BzOCAsnPhe(CHOHCH2)ProNH-tBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BzOCAsnPhe(CHOHCH2)ProNH-tBu 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)ProNH-tBu?
The CAS number of BzOCAsnPhe(CHOHCH2)ProNH-tBu is 127749-95-5.
What is the molecular formula of BzOCAsnPhe(CHOHCH2)ProNH-tBu?
The molecular formula of BzOCAsnPhe(CHOHCH2)ProNH-tBu is C31H43N5O6.
What is the molecular weight of BzOCAsnPhe(CHOHCH2)ProNH-tBu?
The molecular weight of BzOCAsnPhe(CHOHCH2)ProNH-tBu is 581.32 g/mol.
Where can I buy BzOCAsnPhe(CHOHCH2)ProNH-tBu?
You can request a quote for BzOCAsnPhe(CHOHCH2)ProNH-tBu directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BzOCAsnPhe(CHOHCH2)ProNH-tBu?
Yes, KEHONG BIO provides custom synthesis services for BzOCAsnPhe(CHOHCH2)ProNH-tBu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.