PPACK
TL;DR: PPACK (CAS 71142-71-7) is a chemical compound with molecular formula C21H31ClN6O3 and molecular weight 450.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2R)-2-amino-3-phenylpropanoyl]-1-[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide
Also Known As: PPACK, D-Phe-pro-arg CH2Cl, Phe-pro-arg-methyl chloride, Phenylalanyl-prolyl-arginine methyl chloride, D-Phenylalanine-proline-arginine methyl chloride
| Molecular Formula | C21H31ClN6O3 |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | -0.1063 |
| Topological Polar Surface Area | 156.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 450.21463 |
| Heavy Atoms | 31 |
| Complexity | 784.5796 |
Chemical Identifiers
| CAS Number | 71142-71-7 |
|---|---|
| SMILES | C1C[C@H](N(C1)[C@@H](CCCN=C(N)N)C(=O)CCl)C(=O)NC(=O)[C@@H](CC2=CC=CC=C2)N |
Product Overview
PPACK (CAS 71142-71-7), with molecular formula C21H31ClN6O3 and molecular weight 450.21 g/mol. IUPAC: (2S)-N-[(2R)-2-amino-3-phenylpropanoyl]-1-[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pyrrolidine-2-carboxamide.
Chemical Property Profile of PPACK
Property Insights of PPACK
The XLogP value of -0.1063 indicates that PPACK is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.9 Ų indicates high polarity, suggesting PPACK may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PPACK has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PPACK?
The CAS number of PPACK is 71142-71-7.
What is the molecular formula of PPACK?
The molecular formula of PPACK is C21H31ClN6O3.
What is the molecular weight of PPACK?
The molecular weight of PPACK is 450.21 g/mol.
Where can I buy PPACK?
You can request a quote for PPACK directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PPACK?
Yes, KEHONG BIO provides custom synthesis services for PPACK and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.