Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt
TL;DR: Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt (CAS 142563-39-1) is a chemical compound with molecular formula C39H69N13O13S and molecular weight 959.48584 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2,4-diamino-N-[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]butanamide;sulfuric acid
Also Known As: PBOP, Polymyxin B octapeptide, A2bu-Cyclo(A2bu-A2bu-phe-leu-A2bu-A2bu-thr), Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt, (2S)-2,4-Diamino-N-[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-15-benzyl-3-[(1R)-1-hydroxyethyl]-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]butanamide;sulfuric acid
Technical Specifications
| Molecular Formula | C39H69N13O13S |
| Molecular Weight | 959.48584 g/mol |
| XLogP | -6.3608 |
| Topological Polar Surface Area (TPSA) | 466.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Exact Mass | 959.48584 Da |
| Heavy Atoms | 66 |
| Complexity | 1550.0 |
| SMILES | C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC2=CC=CC=C2)CCN)NC(=O)[C@H](CCN)N)O.OS(=O)(=O)O |
| InChIKey | UMTAIVDIVJJTAV-NEOBPPNMSA-N |
Chemical Property Profile of Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt
Property Insights of Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt
The XLogP value of -6.3608 indicates that Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 466.0 Ų indicates high polarity, suggesting Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt has 16 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt?
The CAS number of Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt is 142563-39-1.
What is the molecular formula of Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt?
The molecular formula of Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt is C39H69N13O13S.
What is the molecular weight of Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt?
The molecular weight of Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt is 959.48584 g/mol.
Where can I buy Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt?
You can request a quote for Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt?
Yes, CoreyChem provides custom synthesis services for Dab-cyclo(dab-dab-phe-leu-dab-dab-thr) sulfate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.