Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate
TL;DR: Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate (CAS 13673-54-6) is a chemical compound with molecular formula C24H18Cl5NO4S and molecular weight 590.93994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,3,4,5,6-pentachlorophenyl) (2R)-3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: Linaclotide Impurity 33, Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate, pentachlorophenyl s-benzyl-n-[(benzyloxy)carbonyl]-l-cysteinate, (2,3,4,5,6-pentachlorophenyl) (2R)-3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate, perchlorophenyl S-benzyl-N-((benzyloxy)carbonyl)-L-cysteinate
Technical Specifications
| Molecular Formula | C24H18Cl5NO4S |
| Molecular Weight | 590.93994 g/mol |
| XLogP | 8.2 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 592.93695 Da |
| Heavy Atoms | 35 |
| Complexity | 664.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl |
| InChIKey | KHJLTTGEVZUKSI-INIZCTEOSA-N |
Chemical Property Profile of Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate
Property Insights of Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate
The XLogP value of 8.2 indicates that Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate. Following Lipinski's Rule of Five, Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate?
The CAS number of Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate is 13673-54-6.
What is the molecular formula of Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate?
The molecular formula of Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate is C24H18Cl5NO4S.
What is the molecular weight of Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate?
The molecular weight of Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate is 590.93994 g/mol.
Where can I buy Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate?
You can request a quote for Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate?
Yes, CoreyChem provides custom synthesis services for Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.