Kni 727
TL;DR: Kni 727 (CAS 189357-33-3) is a chemical compound with molecular formula C30H41N3O5S and molecular weight 555.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Also Known As: KNI 727, 6,9-dihydroxy-4,7-megastigmadien-3-one, N-(3-((4R)-4-(N-(tert-Butyl)carbamoyl)-5,5-dimethyl(1,3-thiazolidin-3-yl))(1S,2S)-2-hydroxy-3-oxo-1-benzylpropyl)-2-(2,6-dimethylphenoxy)acetamide, (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, (4R)-N-tert-butyl-3-[(2S,3S)-3-[2-(2,6-dimethylphenoxy)acetamido]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
| Molecular Formula | C30H41N3O5S |
|---|---|
| Molecular Weight | 555.28 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 555.2767 |
| Heavy Atoms | 39 |
| Complexity | 844.0 |
Chemical Identifiers
| CAS Number | 189357-33-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)OCC(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3CSC([C@H]3C(=O)NC(C)(C)C)(C)C)O |
| InChIKey | CSWRAOHDICNMPU-LLZJGCNPSA-N |
Product Overview
Kni 727 (CAS 189357-33-3), with molecular formula C30H41N3O5S and molecular weight 555.28 g/mol. IUPAC: (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.
Chemical Property Profile of Kni 727
Property Insights of Kni 727
The XLogP value of 4.4 indicates that Kni 727 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Kni 727. Following Lipinski's Rule of Five, Kni 727 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kni 727?
The CAS number of Kni 727 is 189357-33-3.
What is the molecular formula of Kni 727?
The molecular formula of Kni 727 is C30H41N3O5S.
What is the molecular weight of Kni 727?
The molecular weight of Kni 727 is 555.28 g/mol.
Where can I buy Kni 727?
You can request a quote for Kni 727 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kni 727?
Yes, KEHONG BIO provides custom synthesis services for Kni 727 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.