![Benzyl N-[(benzyloxy)carbonyl]threonylalaninate structure](/static/products/869/86961-82-2.png)
Benzyl N-[(benzyloxy)carbonyl]threonylalaninate
TL;DR: Benzyl N-[(benzyloxy)carbonyl]threonylalaninate (CAS 86961-82-2) is a chemical compound with molecular formula C22H26N2O6 and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
Also Known As: Benzyl N-[(benzyloxy)carbonyl]threonylalaninate, benzyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate, N-(N-benzyloxycarbonyl-L-allothreonyl)-D-alanine benzyl ester, L-Alanine,N-[N-[(phenylmethoxy)carbonyl]-L-threonyl]-, phenylmethyl ester (9CI), RefChem:357336
| Molecular Formula | C22H26N2O6 |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 414.17908 |
| Heavy Atoms | 30 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 86961-82-2 |
|---|---|
| SMILES | CC(C(C(=O)NC(C)C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O |
| InChIKey | CFFMJNNORXMBEJ-UHFFFAOYSA-N |
Product Overview
Benzyl N-[(benzyloxy)carbonyl]threonylalaninate (CAS 86961-82-2), with molecular formula C22H26N2O6 and molecular weight 414.18 g/mol. IUPAC: benzyl 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate.
Chemical Property Profile of Benzyl N-[(benzyloxy)carbonyl]threonylalaninate
Property Insights of Benzyl N-[(benzyloxy)carbonyl]threonylalaninate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl N-[(benzyloxy)carbonyl]threonylalaninate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl N-[(benzyloxy)carbonyl]threonylalaninate. Following Lipinski's Rule of Five, Benzyl N-[(benzyloxy)carbonyl]threonylalaninate has 3 hydrogen bond donor(s) and 6 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]threonylalaninate?
The CAS number of Benzyl N-[(benzyloxy)carbonyl]threonylalaninate is 86961-82-2.
What is the molecular formula of Benzyl N-[(benzyloxy)carbonyl]threonylalaninate?
The molecular formula of Benzyl N-[(benzyloxy)carbonyl]threonylalaninate is C22H26N2O6.
What is the molecular weight of Benzyl N-[(benzyloxy)carbonyl]threonylalaninate?
The molecular weight of Benzyl N-[(benzyloxy)carbonyl]threonylalaninate is 414.18 g/mol.
Where can I buy Benzyl N-[(benzyloxy)carbonyl]threonylalaninate?
You can request a quote for Benzyl N-[(benzyloxy)carbonyl]threonylalaninate 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]threonylalaninate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl N-[(benzyloxy)carbonyl]threonylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.