Cnk 6001
TL;DR: Cnk 6001 (CAS 175413-86-2) is a chemical compound with molecular formula C12H14N4O5S and molecular weight 326.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-(1H-imidazol-5-yl)-2-[[(6R)-6-methyl-5-oxo-3-sulfanylidenemorpholine-2-carbonyl]amino]propanoic acid
Also Known As: Cnk 6001, N-(((3R,6R)-6-Methyl-5-oxo-3-thiomorpholinyl)carbonyl)-L-histidine, (2S)-3-(1H-imidazol-5-yl)-2-[[(6R)-6-methyl-5-oxo-3-sulfanylidenemorpholine-2-carbonyl]amino]propanoic acid, N-[Hydroxy(5-hydroxy-6-methyl-3-sulfanylidene-3,6-dihydro-2H-1,4-oxazin-2-yl)methylidene]histidinato, N-{Hydroxy[(6R)-5-hydroxy-6-methyl-3-sulfanylidene-3,6-dihydro-2H-1,4-oxazin-2-yl]methylidene}-L-histidine
| Molecular Formula | C12H14N4O5S |
|---|---|
| Molecular Weight | 326.07 g/mol |
| LogP | -1.2475 |
| Topological Polar Surface Area | 133.41 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.06848 |
| Heavy Atoms | 22 |
| Complexity | 602.6676 |
Chemical Identifiers
| CAS Number | 175413-86-2 |
|---|---|
| SMILES | C[C@@H]1C(=O)NC(=S)C(O1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)O |
Product Overview
Cnk 6001 (CAS 175413-86-2), with molecular formula C12H14N4O5S and molecular weight 326.07 g/mol. IUPAC: (2S)-3-(1H-imidazol-5-yl)-2-[[(6R)-6-methyl-5-oxo-3-sulfanylidenemorpholine-2-carbonyl]amino]propanoic acid.
Chemical Property Profile of Cnk 6001
Property Insights of Cnk 6001
The XLogP value of -1.2475 indicates that Cnk 6001 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Cnk 6001. Following Lipinski's Rule of Five, Cnk 6001 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cnk 6001?
The CAS number of Cnk 6001 is 175413-86-2.
What is the molecular formula of Cnk 6001?
The molecular formula of Cnk 6001 is C12H14N4O5S.
What is the molecular weight of Cnk 6001?
The molecular weight of Cnk 6001 is 326.07 g/mol.
Where can I buy Cnk 6001?
You can request a quote for Cnk 6001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cnk 6001?
Yes, KEHONG BIO provides custom synthesis services for Cnk 6001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.