Pneumadin
TL;DR: Pneumadin (CAS 15224-01-8) is a chemical compound with molecular formula C47H74N12O15 and molecular weight 1046.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-5-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
Also Known As: Pneumadin, Pneumadin (rat), Pneumadin Rat, Pneumadin, rat, Pnemadin (rat)
| Molecular Formula | C47H74N12O15 |
|---|---|
| Molecular Weight | 1046.54 g/mol |
| LogP | -6.8 |
| Topological Polar Surface Area | 443.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 32 |
| Exact Mass | 1046.5397 |
| Heavy Atoms | 74 |
| Complexity | 1980.0 |
Chemical Identifiers
| CAS Number | 15224-01-8 |
|---|---|
| SMILES | C[C@@H](C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N |
| InChIKey | KBSORCBSCSOBHH-IHJZLXGESA-N |
Product Overview
Pneumadin (CAS 15224-01-8), with molecular formula C47H74N12O15 and molecular weight 1046.54 g/mol. IUPAC: (4S)-5-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Pneumadin
Property Insights of Pneumadin
The XLogP value of -6.8 indicates that Pneumadin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 443.0 Ų indicates high polarity, suggesting Pneumadin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pneumadin has 14 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pneumadin?
The CAS number of Pneumadin is 15224-01-8.
What is the molecular formula of Pneumadin?
The molecular formula of Pneumadin is C47H74N12O15.
What is the molecular weight of Pneumadin?
The molecular weight of Pneumadin is 1046.54 g/mol.
Where can I buy Pneumadin?
You can request a quote for Pneumadin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pneumadin?
Yes, KEHONG BIO provides custom synthesis services for Pneumadin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.