Ditekiren
TL;DR: Ditekiren (CAS 110386-56-6) is a chemical compound with molecular formula C50H75N9O8 and molecular weight 929.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Also Known As: Ditekiren, Ditekirene, Ditekirenum, Ditiquireno, Ditekireno
| Molecular Formula | C50H75N9O8 |
|---|---|
| Molecular Weight | 929.57 g/mol |
| LogP | 4.7026 |
| Topological Polar Surface Area | 228.05 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Exact Mass | 929.57385 |
| Heavy Atoms | 67 |
| Complexity | 2044.1584 |
Chemical Identifiers
| CAS Number | 110386-56-6 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)N(C)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)O)C(C)C |
Product Overview
Ditekiren (CAS 110386-56-6), with molecular formula C50H75N9O8 and molecular weight 929.57 g/mol. IUPAC: tert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-[[(4S,5S,7S)-5-hydroxy-2,8-dimethyl-7-[[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]carbamoyl]nonan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
Chemical Property Profile of Ditekiren
Property Insights of Ditekiren
The XLogP value of 4.7026 indicates that Ditekiren is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 228.05 Ų indicates high polarity, suggesting Ditekiren may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ditekiren has 6 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 Ditekiren?
The CAS number of Ditekiren is 110386-56-6.
What is the molecular formula of Ditekiren?
The molecular formula of Ditekiren is C50H75N9O8.
What is the molecular weight of Ditekiren?
The molecular weight of Ditekiren is 929.57 g/mol.
Where can I buy Ditekiren?
You can request a quote for Ditekiren directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ditekiren?
Yes, KEHONG BIO provides custom synthesis services for Ditekiren and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.