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Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate
TL;DR: Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate (CAS 72722-25-9) is a chemical compound with molecular formula C23H27N3O7 and molecular weight 457.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]acetate
Also Known As: Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate, benzyl 2-[[2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]acetate, N-[N-(N-Benzyloxycarbonyl-L-leucyl)-glycyl]-glycin-benzylester, Glycine,N-[N-[N-[(phenylmethoxy)carbonyl]-L-threonyl]glycyl]-, phenylmethyl ester (9CI)
| Molecular Formula | C23H27N3O7 |
|---|---|
| Molecular Weight | 457.18 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 457.1849 |
| Heavy Atoms | 33 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 72722-25-9 |
|---|---|
| SMILES | CC(C(C(=O)NCC(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O |
| InChIKey | APVJFYNVCWMAEC-UHFFFAOYSA-N |
Product Overview
Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate (CAS 72722-25-9), with molecular formula C23H27N3O7 and molecular weight 457.18 g/mol. IUPAC: benzyl 2-[[2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]acetate.
Chemical Property Profile of Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate
Property Insights of Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate. The TPSA of 143.0 Ų indicates high polarity, suggesting Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate?
The CAS number of Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate is 72722-25-9.
What is the molecular formula of Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate?
The molecular formula of Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate is C23H27N3O7.
What is the molecular weight of Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate?
The molecular weight of Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate is 457.18 g/mol.
Where can I buy Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate?
You can request a quote for Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl N-[(benzyloxy)carbonyl]threonylglycylglycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.