![pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate structure](/static/products/7400/7400-54-6.webp)
pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate
TL;DR: pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate (CAS 7400-54-6) is a chemical compound with molecular formula C17H13Cl5N2O5S and molecular weight 531.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentachlorophenyl) 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
Also Known As: pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate, (2,3,4,5,6-pentachlorophenyl) 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate, (4-Methylbenzene-1-sulfonamido)-N-[2-oxo-2-(pentachlorophenoxy)ethyl]ethanimidic acid, 2-[(4-Methylbenzene-1-sulfonyl)amino]-N-[2-oxo-2-(pentachlorophenoxy)ethyl]ethanimidic acid, Glycine,N-[N-[(4-methylphenyl)sulfonyl]glycyl]-, pentachlorophenyl ester (9CI)
| Molecular Formula | C17H13Cl5N2O5S |
|---|---|
| Molecular Weight | 531.90 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 531.8988 |
| Heavy Atoms | 30 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 7400-54-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)NCC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl |
| InChIKey | ULZVGZLJSXTZDG-UHFFFAOYSA-N |
Product Overview
pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate (CAS 7400-54-6), with molecular formula C17H13Cl5N2O5S and molecular weight 531.90 g/mol. IUPAC: (2,3,4,5,6-pentachlorophenyl) 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate.
Chemical Property Profile of pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate
Property Insights of pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate
The XLogP value of 5.2 indicates that pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate. Following Lipinski's Rule of Five, pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate 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 pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate?
The CAS number of pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate is 7400-54-6.
What is the molecular formula of pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate?
The molecular formula of pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate is C17H13Cl5N2O5S.
What is the molecular weight of pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate?
The molecular weight of pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate is 531.90 g/mol.
Where can I buy pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate?
You can request a quote for pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate?
Yes, KEHONG BIO provides custom synthesis services for pentachlorophenyl n-[(4-methylphenyl)sulfonyl]glycylglycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.