Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide
TL;DR: Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide (CAS 1740-36-9) is a chemical compound with molecular formula C31H35N7O8 and molecular weight 633.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate
Also Known As: Z-Gly-phe-cit 4-npha, Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide, N-Benzyloxycarbonyl-L-glycyl-phenylalanyl-citrulline para-nitroanilide, benzyl N-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate, benzyloxycarbonylglycyl-L-phenylalanyl-L-citrulline p-nitroanilide
| Molecular Formula | C31H35N7O8 |
|---|---|
| Molecular Weight | 633.25 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 227.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 16 |
| Exact Mass | 633.2547 |
| Heavy Atoms | 46 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 1740-36-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)NC(=O)[C@H](CCCNC(=O)N)NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CNC(=O)OCC3=CC=CC=C3 |
| InChIKey | DDXCWQDMYVFWAY-UIOOFZCWSA-N |
Product Overview
Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide (CAS 1740-36-9), with molecular formula C31H35N7O8 and molecular weight 633.25 g/mol. IUPAC: benzyl N-[2-[[(2S)-1-[[(2S)-5-(carbamoylamino)-2-(4-nitroanilino)pentanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]carbamate.
Chemical Property Profile of Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide
Property Insights of Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide. The TPSA of 227.0 Ų indicates high polarity, suggesting Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide has 6 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 Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide?
The CAS number of Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide is 1740-36-9.
What is the molecular formula of Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide?
The molecular formula of Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide is C31H35N7O8.
What is the molecular weight of Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide?
The molecular weight of Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide is 633.25 g/mol.
Where can I buy Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide?
You can request a quote for Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide?
Yes, KEHONG BIO provides custom synthesis services for Benzyloxycarbonylglycyl-phenylalanyl-citrulline 4-nitroanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.