Azapeptide-based compound 31
TL;DR: Azapeptide-based compound 31 (CAS 220440-54-0) is a chemical compound with molecular formula C45H63N7O13 and molecular weight 909.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-4-phenylmethoxy-2-[[phenylmethoxycarbonyl(propyl)amino]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Azapeptide-based compound 31, (4R)-4-[(2S)-2-Acetamido-3-carboxypropanamido]-5-{[(2S,3S)-1-({(2S)-1-[(2S,4R)-4-(benzyloxy)-2-{2-[(benzyloxy)carbonyl]-2-propylhydrazine-1-carbonyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}amino)-3-methyl-1-oxopentan-2-yl]amino}-5-oxopentanoic acid, (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-4-phenylmethoxy-2-[[phenylmethoxycarbonyl(propyl)amino]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid, (4R)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-4-phenylmethoxy-2-[[phenylmethoxycarbonyl(propyl)amino]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid, L-Proline, N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-[(phenylmethoxy)carbonyl]-2-propylhydrazide], (4R)- (9CI)
| Molecular Formula | C45H63N7O13 |
|---|---|
| Molecular Weight | 909.45 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 279.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 25 |
| Exact Mass | 909.44836 |
| Heavy Atoms | 65 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 220440-54-0 |
|---|---|
| SMILES | CCCN(C(=O)OCC1=CC=CC=C1)NC(=O)[C@@H]2C[C@H](CN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)OCC3=CC=CC=C3 |
| InChIKey | YYHBOQQWMBQASJ-YEFARLPMSA-N |
Product Overview
Azapeptide-based compound 31 (CAS 220440-54-0), with molecular formula C45H63N7O13 and molecular weight 909.45 g/mol. IUPAC: (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-3-methyl-1-[[(2S)-3-methyl-1-oxo-1-[(2S,4R)-4-phenylmethoxy-2-[[phenylmethoxycarbonyl(propyl)amino]carbamoyl]pyrrolidin-1-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Azapeptide-based compound 31
Property Insights of Azapeptide-based compound 31
The XLogP value of 3.0 indicates that Azapeptide-based compound 31 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting Azapeptide-based compound 31 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azapeptide-based compound 31 has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Azapeptide-based compound 31?
The CAS number of Azapeptide-based compound 31 is 220440-54-0.
What is the molecular formula of Azapeptide-based compound 31?
The molecular formula of Azapeptide-based compound 31 is C45H63N7O13.
What is the molecular weight of Azapeptide-based compound 31?
The molecular weight of Azapeptide-based compound 31 is 909.45 g/mol.
Where can I buy Azapeptide-based compound 31?
You can request a quote for Azapeptide-based compound 31 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azapeptide-based compound 31?
Yes, KEHONG BIO provides custom synthesis services for Azapeptide-based compound 31 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.