Azapeptide-based compound 43
TL;DR: Azapeptide-based compound 43 (CAS 220440-61-9) is a chemical compound with molecular formula C45H64N8O12 and molecular weight 908.46 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)-1-[[(2S)-1-[(2S,4R)-2-[[ethyl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
Also Known As: Azapeptide-based compound 43, (4R)-4-[(2S)-2-Acetamido-3-carboxypropanamido]-5-{[(2S,3S)-1-({(2S)-1-[(2S,4R)-4-(benzyloxy)-2-(2-ethyl-2-{[(1S)-1-phenylethyl]carbamoyl}hydrazine-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)-1-[[(2S)-1-[(2S,4R)-2-[[ethyl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid, (4R)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[ethyl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid, (4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-{[ethyl({[(1S)-1-phenylethyl]carbamoyl})amino]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid
| Molecular Formula | C45H64N8O12 |
|---|---|
| Molecular Weight | 908.46 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 282.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 23 |
| Exact Mass | 908.46436 |
| Heavy Atoms | 65 |
| Complexity | 1650.0 |
Chemical Identifiers
| CAS Number | 220440-61-9 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1C[C@@H](C[C@H]1C(=O)NN(CC)C(=O)N[C@@H](C)C2=CC=CC=C2)OCC3=CC=CC=C3)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C |
| InChIKey | NNNSRTOOTNLZLC-DQPRJFCNSA-N |
Product Overview
Azapeptide-based compound 43 (CAS 220440-61-9), with molecular formula C45H64N8O12 and molecular weight 908.46 g/mol. IUPAC: (4R)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S,3S)-1-[[(2S)-1-[(2S,4R)-2-[[ethyl-[[(1S)-1-phenylethyl]carbamoyl]amino]carbamoyl]-4-phenylmethoxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Azapeptide-based compound 43
Property Insights of Azapeptide-based compound 43
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azapeptide-based compound 43. The TPSA of 282.0 Ų indicates high polarity, suggesting Azapeptide-based compound 43 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Azapeptide-based compound 43 has 8 hydrogen bond donor(s) and 12 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 43?
The CAS number of Azapeptide-based compound 43 is 220440-61-9.
What is the molecular formula of Azapeptide-based compound 43?
The molecular formula of Azapeptide-based compound 43 is C45H64N8O12.
What is the molecular weight of Azapeptide-based compound 43?
The molecular weight of Azapeptide-based compound 43 is 908.46 g/mol.
Where can I buy Azapeptide-based compound 43?
You can request a quote for Azapeptide-based compound 43 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 43?
Yes, KEHONG BIO provides custom synthesis services for Azapeptide-based compound 43 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.