N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)
TL;DR: N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate) (CAS 13673-51-3) is a chemical compound with molecular formula C19H15Cl5N2O5 and molecular weight 525.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) (2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
Also Known As: Linaclotide Impurity 31, N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate), benzyloxycarbonylglutamine pentachlorphenyl ester, perchlorophenyl ((benzyloxy)carbonyl)-L-glutaminate, (2,3,4,5,6-pentachlorophenyl) (2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
| Molecular Formula | C19H15Cl5N2O5 |
|---|---|
| Molecular Weight | 525.94 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 527.9394 |
| Heavy Atoms | 31 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 13673-51-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CCC(=O)N)C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | GUYCMAYBPDXYPY-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate) (CAS 13673-51-3), with molecular formula C19H15Cl5N2O5 and molecular weight 525.94 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) (2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate.
Chemical Property Profile of N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)
Property Insights of N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)
The XLogP value of 5.3 indicates that N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate). Following Lipinski's Rule of Five, N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate) has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)?
The CAS number of N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate) is 13673-51-3.
What is the molecular formula of N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)?
The molecular formula of N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate) is C19H15Cl5N2O5.
What is the molecular weight of N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)?
The molecular weight of N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate) is 525.94 g/mol.
Where can I buy N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)?
You can request a quote for N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)?
Yes, KEHONG BIO provides custom synthesis services for N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.