Rohdei-litorin
TL;DR: Rohdei-litorin (CAS 96563-00-7) is a chemical compound with molecular formula C51H69N13O11S and molecular weight 1071.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
Also Known As: Rohdei-litorin, Rohdeilitorin (9CI), Pglu-leu-trp-ala-thr-gly-his-phe-met-NH2, Ranatensin, 2-L-leucine-3-de-L-proline-4-de-L-glutamine-7-L-threonine-, Pyroglutamyl-leucyl-tryptophyl-alanyl-threonyl-glycyl-histidyl-phenylalanyl-methioninamide
| Molecular Formula | C51H69N13O11S |
|---|---|
| Molecular Weight | 1071.50 g/mol |
| LogP | -1.6075 |
| Topological Polar Surface Area | 369.69 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 29 |
| Exact Mass | 1071.496 |
| Heavy Atoms | 76 |
| Complexity | 2667.1758 |
Chemical Identifiers
| CAS Number | 96563-00-7 |
|---|---|
| SMILES | CCC(C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@@H]5CCC(=O)N5 |
Product Overview
Rohdei-litorin (CAS 96563-00-7), with molecular formula C51H69N13O11S and molecular weight 1071.50 g/mol. IUPAC: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide.
Chemical Property Profile of Rohdei-litorin
Property Insights of Rohdei-litorin
The XLogP value of -1.6075 indicates that Rohdei-litorin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 369.69 Ų indicates high polarity, suggesting Rohdei-litorin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rohdei-litorin has 13 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 Rohdei-litorin?
The CAS number of Rohdei-litorin is 96563-00-7.
What is the molecular formula of Rohdei-litorin?
The molecular formula of Rohdei-litorin is C51H69N13O11S.
What is the molecular weight of Rohdei-litorin?
The molecular weight of Rohdei-litorin is 1071.50 g/mol.
Where can I buy Rohdei-litorin?
You can request a quote for Rohdei-litorin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rohdei-litorin?
Yes, KEHONG BIO provides custom synthesis services for Rohdei-litorin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.