CTK4D8525
TL;DR: CTK4D8525 (CAS 183556-68-5) is a chemical compound with molecular formula C30H44N4O7S and molecular weight 604.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide
Also Known As: Carbamic acid,acetyldithio-,methyl ester, (2S)-N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide, (S)-N-{(1S,2R)-3-[(1,3-BENZODIOXOL-5-YLSULFONYL)(ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYL}-3,3-DIMETHYL-2-(SARCOSYLAMINO)BUTYRAMIDE, N-Methylglycyl-N-{(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)-2H-1,3-benzodioxole-5-sulfonamido]-1-phenylbutan-2-yl}-3-methyl-L-valinamide
| Molecular Formula | C30H44N4O7S |
|---|---|
| Molecular Weight | 604.29 g/mol |
| LogP | 1.9007 |
| Topological Polar Surface Area | 146.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 604.2931 |
| Heavy Atoms | 42 |
| Complexity | 1312.6827 |
Chemical Identifiers
| CAS Number | 183556-68-5 |
|---|---|
| SMILES | CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)(C)C)NC(=O)CNC)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3 |
Product Overview
CTK4D8525 (CAS 183556-68-5), with molecular formula C30H44N4O7S and molecular weight 604.29 g/mol. IUPAC: (2S)-N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]-3,3-dimethyl-2-[[2-(methylamino)acetyl]amino]butanamide.
Chemical Property Profile of CTK4D8525
Property Insights of CTK4D8525
The XLogP value of 1.9007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4D8525. The TPSA of 146.3 Ų indicates high polarity, suggesting CTK4D8525 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4D8525 has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4D8525?
The CAS number of CTK4D8525 is 183556-68-5.
What is the molecular formula of CTK4D8525?
The molecular formula of CTK4D8525 is C30H44N4O7S.
What is the molecular weight of CTK4D8525?
The molecular weight of CTK4D8525 is 604.29 g/mol.
Where can I buy CTK4D8525?
You can request a quote for CTK4D8525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4D8525?
Yes, KEHONG BIO provides custom synthesis services for CTK4D8525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.