CTK3I7175
TL;DR: CTK3I7175 (CAS 96053-96-2) is a chemical compound with molecular formula C37H68N2O7 and molecular weight 652.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-[[2-[[15-methyl-3-(13-methyltetradec-4-enoyloxy)hexadecanoyl]amino]acetyl]amino]propanoic acid
Also Known As: WB-3559B, WB 3559 B, 3-hydroxy-2-[[2-[[15-methyl-3-[(E)-13-methyltetradec-4-enoyl]oxy-hexadecanoyl]amino]acetyl]amino]propanoic acid
| Molecular Formula | C37H68N2O7 |
|---|---|
| Molecular Weight | 652.50 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 32 |
| Exact Mass | 652.5026 |
| Heavy Atoms | 46 |
| Complexity | 829.0 |
Chemical Identifiers
| CAS Number | 96053-96-2 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCC(CC(=O)NCC(=O)NC(CO)C(=O)O)OC(=O)CCC=CCCCCCCCC(C)C |
| InChIKey | SFBPGKGOOXACGN-UHFFFAOYSA-N |
Product Overview
CTK3I7175 (CAS 96053-96-2), with molecular formula C37H68N2O7 and molecular weight 652.50 g/mol. IUPAC: 3-hydroxy-2-[[2-[[15-methyl-3-(13-methyltetradec-4-enoyloxy)hexadecanoyl]amino]acetyl]amino]propanoic acid.
Chemical Property Profile of CTK3I7175
Property Insights of CTK3I7175
The XLogP value of 10.4 indicates that CTK3I7175 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting CTK3I7175 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK3I7175 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK3I7175?
The CAS number of CTK3I7175 is 96053-96-2.
What is the molecular formula of CTK3I7175?
The molecular formula of CTK3I7175 is C37H68N2O7.
What is the molecular weight of CTK3I7175?
The molecular weight of CTK3I7175 is 652.50 g/mol.
Where can I buy CTK3I7175?
You can request a quote for CTK3I7175 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK3I7175?
Yes, KEHONG BIO provides custom synthesis services for CTK3I7175 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.