Undecenoyl-aspartyl-dialanyl-proline ethylamide
TL;DR: Undecenoyl-aspartyl-dialanyl-proline ethylamide (CAS 90069-16-2) is a chemical compound with molecular formula C32H52N6O10 and molecular weight 680.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-amino-4-[[(2S)-1-[(2R)-1-[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]-2-(ethylcarbamoyl)-3-[(E)-undec-2-enoyl]pyrrolidin-2-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Uaaapne, Ude-asp-(ala)2-pro-nhet, Undecenoyl-aspartyl-dialanyl-proline ethylamide, 5-(6-oxoheptylamino)pentanamide, 6-(BUTYLAMINO)HEXANAMIDE
| Molecular Formula | C32H52N6O10 |
|---|---|
| Molecular Weight | 680.37 g/mol |
| LogP | -0.2318 |
| Topological Polar Surface Area | 268.39 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 22 |
| Exact Mass | 680.3745 |
| Heavy Atoms | 48 |
| Complexity | 1223.6846 |
Chemical Identifiers
| CAS Number | 90069-16-2 |
|---|---|
| SMILES | CCCCCCCC/C=C/C(=O)C1CCN([C@]1(C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)N)C(=O)NCC)C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)N |
Product Overview
Undecenoyl-aspartyl-dialanyl-proline ethylamide (CAS 90069-16-2), with molecular formula C32H52N6O10 and molecular weight 680.37 g/mol. IUPAC: (3S)-3-amino-4-[[(2S)-1-[(2R)-1-[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]-2-(ethylcarbamoyl)-3-[(E)-undec-2-enoyl]pyrrolidin-2-yl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Undecenoyl-aspartyl-dialanyl-proline ethylamide
Property Insights of Undecenoyl-aspartyl-dialanyl-proline ethylamide
The XLogP value of -0.2318 indicates that Undecenoyl-aspartyl-dialanyl-proline ethylamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 268.39 Ų indicates high polarity, suggesting Undecenoyl-aspartyl-dialanyl-proline ethylamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Undecenoyl-aspartyl-dialanyl-proline ethylamide has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Undecenoyl-aspartyl-dialanyl-proline ethylamide?
The CAS number of Undecenoyl-aspartyl-dialanyl-proline ethylamide is 90069-16-2.
What is the molecular formula of Undecenoyl-aspartyl-dialanyl-proline ethylamide?
The molecular formula of Undecenoyl-aspartyl-dialanyl-proline ethylamide is C32H52N6O10.
What is the molecular weight of Undecenoyl-aspartyl-dialanyl-proline ethylamide?
The molecular weight of Undecenoyl-aspartyl-dialanyl-proline ethylamide is 680.37 g/mol.
Where can I buy Undecenoyl-aspartyl-dialanyl-proline ethylamide?
You can request a quote for Undecenoyl-aspartyl-dialanyl-proline ethylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecenoyl-aspartyl-dialanyl-proline ethylamide?
Yes, KEHONG BIO provides custom synthesis services for Undecenoyl-aspartyl-dialanyl-proline ethylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.