Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester
TL;DR: Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester (CAS 68835-73-4) is a chemical compound with molecular formula C28H30N2O5S and molecular weight 506.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate
Also Known As: CARBOBENZYLOXYALANYL-S-BENZYLCYSTEINE BENZYL ESTER, benzyl 2-(2-{[(benzyloxy)carbonyl]amino}propanamido)-3-(benzylsulfanyl)propanoate, Benzyl 3-benzylsulfanyl-2-(2-phenylmethoxycarbonylaminopropanoylamino)propanoate, benzyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate, 667-918-7
| Molecular Formula | C28H30N2O5S |
|---|---|
| Molecular Weight | 506.19 g/mol |
| LogP | 4.4629 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 506.18753 |
| Heavy Atoms | 36 |
| Complexity | 1096.6974 |
Chemical Identifiers
| CAS Number | 68835-73-4 |
|---|---|
| SMILES | CC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3 |
Product Overview
Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester (CAS 68835-73-4), with molecular formula C28H30N2O5S and molecular weight 506.19 g/mol. IUPAC: benzyl 3-benzylsulfanyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoate.
Chemical Property Profile of Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester
Property Insights of Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester
The XLogP value of 4.4629 indicates that Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester. Following Lipinski's Rule of Five, Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester?
The CAS number of Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester is 68835-73-4.
What is the molecular formula of Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester?
The molecular formula of Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester is C28H30N2O5S.
What is the molecular weight of Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester?
The molecular weight of Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester is 506.19 g/mol.
Where can I buy Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester?
You can request a quote for Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbobenzyloxyalanyl-S-benzylcysteine benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.