CTK3E9289
TL;DR: CTK3E9289 (CAS 86067-65-4) is a chemical compound with molecular formula C50H71N15O10 and molecular weight 1041.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pent-4-enoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2S)-1-[[(2S)-3-hydroxy-1-oxo-1-[(2S)-2-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide
Also Known As: (2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(E,2S)-2-amino-5-(diaminomethylideneamino)pent-4-enoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenyl-propanoyl]amino]-3-hydroxy
| Molecular Formula | C50H71N15O10 |
|---|---|
| Molecular Weight | 1041.55 g/mol |
| LogP | -3.7505 |
| Topological Polar Surface Area | 398.55 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 26 |
| Exact Mass | 1041.5508 |
| Heavy Atoms | 75 |
| Complexity | 2399.9954 |
Chemical Identifiers
| CAS Number | 86067-65-4 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC=CN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C=O |
Product Overview
CTK3E9289 (CAS 86067-65-4), with molecular formula C50H71N15O10 and molecular weight 1041.55 g/mol. IUPAC: (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pent-4-enoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]-N-[2-[[(2S)-1-[[(2S)-3-hydroxy-1-oxo-1-[(2S)-2-[[(2S)-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]propan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of CTK3E9289
Property Insights of CTK3E9289
The XLogP value of -3.7505 indicates that CTK3E9289 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 398.55 Ų indicates high polarity, suggesting CTK3E9289 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3E9289 has 11 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 CTK3E9289?
The CAS number of CTK3E9289 is 86067-65-4.
What is the molecular formula of CTK3E9289?
The molecular formula of CTK3E9289 is C50H71N15O10.
What is the molecular weight of CTK3E9289?
The molecular weight of CTK3E9289 is 1041.55 g/mol.
Where can I buy CTK3E9289?
You can request a quote for CTK3E9289 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3E9289?
Yes, KEHONG BIO provides custom synthesis services for CTK3E9289 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.