![ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate structure](/static/products/2352/23524-64-3.webp)
ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate
TL;DR: ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate (CAS 23524-64-3) is a chemical compound with molecular formula C36H37N3O6S and molecular weight 639.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-4-oxo-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]butanoate
Also Known As: ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate, ethyl 4-amino-4-oxo-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]butanoate, 2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N-(1-ethoxy-4-hydroxy-4-imino-1-oxobutan-2-yl)-3-[(triphenylmethyl)sulfanyl]propanimidic acid
| Molecular Formula | C36H37N3O6S |
|---|---|
| Molecular Weight | 639.24 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 639.2403 |
| Heavy Atoms | 46 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 23524-64-3 |
|---|---|
| SMILES | CCOC(=O)C(CC(=O)N)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4 |
| InChIKey | HKIMULZEAOKNNR-UHFFFAOYSA-N |
Product Overview
ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate (CAS 23524-64-3), with molecular formula C36H37N3O6S and molecular weight 639.24 g/mol. IUPAC: ethyl 4-amino-4-oxo-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]butanoate.
Chemical Property Profile of ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate
Property Insights of ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate
The XLogP value of 5.3 indicates that ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate has 3 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 ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate?
The CAS number of ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate is 23524-64-3.
What is the molecular formula of ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate?
The molecular formula of ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate is C36H37N3O6S.
What is the molecular weight of ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate?
The molecular weight of ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate is 639.24 g/mol.
Where can I buy ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate?
You can request a quote for ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate?
Yes, KEHONG BIO provides custom synthesis services for ethyl n-[(benzyloxy)carbonyl]-s-tritylcysteinylasparaginate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.