替匹法尼
TL;DR: 替匹法尼 (CAS 192185-72-1) is a chemical compound with molecular formula C98H155NO46 and molecular weight 2081.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
替匹法尼
[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-(hydroxymethyl)-6-methylocta-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: Tipifarnib, Elliptoside E, AVICIN D, [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-(hydroxymethyl)-6-methylocta-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, (R)-6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one
| Molecular Formula | C98H155NO46 |
|---|---|
| Molecular Weight | 2081.98 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 732.0 Ų |
| Hydrogen Bond Donors | 25 |
| Hydrogen Bond Acceptors | 46 |
| Rotatable Bonds | 38 |
| Exact Mass | 2082.9854 |
| Heavy Atoms | 145 |
| Complexity | 4490.0 |
Chemical Identifiers
| CAS Number | 192185-72-1 |
|---|---|
| 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)CO)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 | HKEDBKXRDHFCFB-UHFFFAOYSA-N |
Product Overview
替匹法尼 (CAS 192185-72-1), with molecular formula C98H155NO46 and molecular weight 2081.98 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-(hydroxymethyl)-6-methylocta-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 替匹法尼
Property Insights of 替匹法尼
The XLogP value of -3.9 indicates that 替匹法尼 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 732.0 Ų indicates high polarity, suggesting 替匹法尼 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 替匹法尼 has 25 hydrogen bond donor(s) and 46 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 替匹法尼?
The CAS number of 替匹法尼 is 192185-72-1.
What is the molecular formula of 替匹法尼?
The molecular formula of 替匹法尼 is C98H155NO46.
What is the molecular weight of 替匹法尼?
The molecular weight of 替匹法尼 is 2081.98 g/mol.
Where can I buy 替匹法尼?
You can request a quote for 替匹法尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 替匹法尼?
Yes, KEHONG BIO provides custom synthesis services for 替匹法尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.