2j4i
TL;DR: 2j4i (CAS 532406-45-4) is a chemical compound with molecular formula C23H31ClN4O6S2 and molecular weight 558.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]-N-propan-2-ylpropanamide
Also Known As: 2j4i, P4 alanylamide pyrrolidin-2-one 39, 1-Pyrrolidineacetamide, 3-[[(6-Chloro-2-Naphthalenyl)sulfonyl]amino]-Alpha-Methyl-N-(1-Methylethyl)-N-[2-[(Methylsulfonyl)amino]ethyl]-2-Oxo-, (Alphas,3s)-, GSJ, (2S)-2-((3S)-3-{[(6-Chloro-2-naphthyl)sulfonyl]amino}-2-oxopyrrolidin-1-yl)-N-isopropyl-N-{2-[(methylsulfonyl)amino]ethyl}propanamide
| Molecular Formula | C23H31ClN4O6S2 |
|---|---|
| Molecular Weight | 558.14 g/mol |
| LogP | 1.5471 |
| Topological Polar Surface Area | 132.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 558.1373 |
| Heavy Atoms | 36 |
| Complexity | 1363.916 |
Chemical Identifiers
| CAS Number | 532406-45-4 |
|---|---|
| SMILES | C[C@@H](C(=O)N(CCNS(=O)(=O)C)C(C)C)N1CC[C@@H](C1=O)NS(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl |
Product Overview
2j4i (CAS 532406-45-4), with molecular formula C23H31ClN4O6S2 and molecular weight 558.14 g/mol. IUPAC: (2S)-2-[(3S)-3-[(6-chloronaphthalen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-N-[2-(methanesulfonamido)ethyl]-N-propan-2-ylpropanamide.
Chemical Property Profile of 2j4i
Property Insights of 2j4i
The XLogP value of 1.5471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2j4i. The TPSA of 132.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2j4i. Following Lipinski's Rule of Five, 2j4i 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 2j4i?
The CAS number of 2j4i is 532406-45-4.
What is the molecular formula of 2j4i?
The molecular formula of 2j4i is C23H31ClN4O6S2.
What is the molecular weight of 2j4i?
The molecular weight of 2j4i is 558.14 g/mol.
Where can I buy 2j4i?
You can request a quote for 2j4i directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2j4i?
Yes, KEHONG BIO provides custom synthesis services for 2j4i and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.