Tie2激酶抑制剂
TL;DR: Tie2激酶抑制剂 (CAS 948557-43-5) is a chemical compound with molecular formula C98H155NO45 and molecular weight 2065.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Tie2激酶抑制剂
[3-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3-acetamido-6-[[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-[6-[3,4-dihydroxy-5-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Tie2 kinase inhibitor, 4-(5-(6-methoxynaphthalen-2-yl)-2-(4-(methylsulfinyl)phenyl)-1H-imidazol-4-yl)pyridine, [3-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3-acetamido-6-[[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-[6-[3,4-dihydroxy-5-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
| Molecular Formula | C98H155NO45 |
|---|---|
| Molecular Weight | 2065.99 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 712.0 Ų |
| Hydrogen Bond Donors | 24 |
| Hydrogen Bond Acceptors | 45 |
| Rotatable Bonds | 37 |
| Exact Mass | 2066.9905 |
| Heavy Atoms | 144 |
| Complexity | 4470.0 |
Chemical Identifiers
| CAS Number | 948557-43-5 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CC(C7(C6CC(C(C7)OC(=O)C(=CCCC(C)(C=C)OC8C(C(C(C(O8)C)OC(=O)C(=CCCC(C)(C=C)O)C)O)O)CO)(C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)C)OC1C(C(C(O1)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C)NC(=O)C)O)O)OC1C(C(C(CO1)O)O)O)O)O |
| InChIKey | AAGNHEFESXZZGI-UHFFFAOYSA-N |
Product Overview
Tie2激酶抑制剂 (CAS 948557-43-5), with molecular formula C98H155NO45 and molecular weight 2065.99 g/mol. IUPAC: [3-[5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 10-[3-acetamido-6-[[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-[6-[3,4-dihydroxy-5-(6-hydroxy-2,6-dimethylocta-2,7-dienoyl)oxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Tie2激酶抑制剂
Property Insights of Tie2激酶抑制剂
The XLogP value of -2.6 indicates that Tie2激酶抑制剂 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 712.0 Ų indicates high polarity, suggesting Tie2激酶抑制剂 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tie2激酶抑制剂 has 24 hydrogen bond donor(s) and 45 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tie2激酶抑制剂?
The CAS number of Tie2激酶抑制剂 is 948557-43-5.
What is the molecular formula of Tie2激酶抑制剂?
The molecular formula of Tie2激酶抑制剂 is C98H155NO45.
What is the molecular weight of Tie2激酶抑制剂?
The molecular weight of Tie2激酶抑制剂 is 2065.99 g/mol.
Where can I buy Tie2激酶抑制剂?
You can request a quote for Tie2激酶抑制剂 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tie2激酶抑制剂?
Yes, KEHONG BIO provides custom synthesis services for Tie2激酶抑制剂 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.