Kahalalide A
TL;DR: Kahalalide A (CAS 179733-11-0) is a chemical compound with molecular formula C46H67N7O11 and molecular weight 893.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2R)-1-[[(3S,6R,9S,12R,15R,18R,19S)-12-benzyl-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylbutanamide
Also Known As: Kahalalide A, N-[(2R)-1-[[(3S,6R,9S,12R,15R,18R,19S)-12-benzyl-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylbutanamide, L-Serine, N-(N-(N-(N-(N-(N-(N-(2-methyl-1-oxobutyl)-D-phenylalanyl)-L-threonyl)-D-leucyl)-D-phenylalanyl)-D-leucyl)-L-threonyl)-, rho-lactone, (2S)-N-((2R)-1-(((3S,6S,9R,12R,15R,18S,19R)-12-benzyl-6-((1R)-1-hydroxyethyl)-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl)amino)-1-oxo-3-phenylpropan-2-yl)-2-methylbutanamide, N-((2R)-1-(((3S,6S,9R,12R,15R,18R,19S)-12-benzyl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl)amino)-1-oxo-3-phenylpropan-2-yl)-2-methylbutanamide
| Molecular Formula | C46H67N7O11 |
|---|---|
| Molecular Weight | 893.49 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 893.48987 |
| Heavy Atoms | 64 |
| Complexity | 1580.0 |
Chemical Identifiers
| CAS Number | 179733-11-0 |
|---|---|
| SMILES | CCC(C)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H]2[C@@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC2=O)CC(C)C)CC3=CC=CC=C3)CC(C)C)[C@@H](C)O)CO)C |
| InChIKey | WEBZVDAMOOBHRC-DRVIOHKISA-N |
Product Overview
Kahalalide A (CAS 179733-11-0), with molecular formula C46H67N7O11 and molecular weight 893.49 g/mol. IUPAC: N-[(2R)-1-[[(3S,6R,9S,12R,15R,18R,19S)-12-benzyl-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylbutanamide.
Chemical Property Profile of Kahalalide A
Property Insights of Kahalalide A
The XLogP value of 4.8 indicates that Kahalalide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 270.0 Ų indicates high polarity, suggesting Kahalalide A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kahalalide A has 9 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kahalalide A?
The CAS number of Kahalalide A is 179733-11-0.
What is the molecular formula of Kahalalide A?
The molecular formula of Kahalalide A is C46H67N7O11.
What is the molecular weight of Kahalalide A?
The molecular weight of Kahalalide A is 893.49 g/mol.
Where can I buy Kahalalide A?
You can request a quote for Kahalalide A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kahalalide A?
Yes, KEHONG BIO provides custom synthesis services for Kahalalide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.