Kynostatin 227
TL;DR: Kynostatin 227 (CAS 147384-69-8) is a chemical compound with molecular formula C35H45N5O6S2 and molecular weight 695.28 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)-2-hydroxy-3-[[(2R)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Also Known As: Kynostatin 227, Qoa-Mta-Apns-Thz-NH-tBu, J2.027.624J, (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2R)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(2R)-2-[2-(isoquinolin-5-yloxy)acetamido]-3-(methylsulfanyl)propanamido]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
| Molecular Formula | C35H45N5O6S2 |
|---|---|
| Molecular Weight | 695.28 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 695.2811 |
| Heavy Atoms | 48 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 147384-69-8 |
|---|---|
| SMILES | CC1([C@H](N(CS1)C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O)C(=O)NC(C)(C)C)C |
| InChIKey | AHWCYDXQIXZVRK-RPQLRNILSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Kynostatin 227 (CAS 147384-69-8), with molecular formula C35H45N5O6S2 and molecular weight 695.28 g/mol. IUPAC: (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2R)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.
Chemical Property Profile of Kynostatin 227
Property Insights of Kynostatin 227
The XLogP value of 3.9 indicates that Kynostatin 227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 201.0 Ų indicates high polarity, suggesting Kynostatin 227 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kynostatin 227 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Kynostatin 227?
The CAS number of Kynostatin 227 is 147384-69-8.
What is the molecular formula of Kynostatin 227?
The molecular formula of Kynostatin 227 is C35H45N5O6S2.
What is the molecular weight of Kynostatin 227?
The molecular weight of Kynostatin 227 is 695.28 g/mol.
Where can I buy Kynostatin 227?
You can request a quote for Kynostatin 227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kynostatin 227?
Yes, KEHONG BIO provides custom synthesis services for Kynostatin 227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.