J1.648.274I
TL;DR: J1.648.274I (CAS 159646-83-0) is a chemical compound with molecular formula C52H74N10O14 and molecular weight 1062.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
Also Known As: J1.648.274I, QL9, (2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-methylpentanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanamido]-3-carboxypropanamido]-4-methylpentanoic acid, (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoic acid, L-Leucine, L-glutaminyl-L-leucyl-L-seryl-L-prolyl-L-phenylalanyl-L-prolyl-L-phenylalanyl-L-alpha-aspartyl-
| Molecular Formula | C52H74N10O14 |
|---|---|
| Molecular Weight | 1062.54 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 379.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 29 |
| Exact Mass | 1062.5386 |
| Heavy Atoms | 76 |
| Complexity | 2050.0 |
Chemical Identifiers
| CAS Number | 159646-83-0 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)N |
| InChIKey | LKWGVTVKKKGMDA-JBRKIFEHSA-N |
Product Overview
J1.648.274I (CAS 159646-83-0), with molecular formula C52H74N10O14 and molecular weight 1062.54 g/mol. IUPAC: (2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid.
Chemical Property Profile of J1.648.274I
Property Insights of J1.648.274I
The XLogP value of -1.7 indicates that J1.648.274I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 379.0 Ų indicates high polarity, suggesting J1.648.274I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, J1.648.274I has 11 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of J1.648.274I?
The CAS number of J1.648.274I is 159646-83-0.
What is the molecular formula of J1.648.274I?
The molecular formula of J1.648.274I is C52H74N10O14.
What is the molecular weight of J1.648.274I?
The molecular weight of J1.648.274I is 1062.54 g/mol.
Where can I buy J1.648.274I?
You can request a quote for J1.648.274I directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.648.274I?
Yes, KEHONG BIO provides custom synthesis services for J1.648.274I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.