Ildamen-Novodigal
TL;DR: Ildamen-Novodigal (CAS 57607-36-0) is a chemical compound with molecular formula C62H90ClNO18 and molecular weight 1171.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate;3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one;hydrochloride
Also Known As: Ildamen-novodigal, [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate;3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one;hydrochloride, [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate; 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one; hydrochloride, 3 beta-((O-4-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12 beta,14-dihydroxy-5 beta-card-20(22)-enolide mixt. with 3-((2-hydroxy-1-methyl-2-phenyleth yl)amino)-1-(3-methoxyphenyl)-1-propanone.HCl, 3beta-((O-4-O-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12beta,14-dihydroxy-5beta-card-20(22)-enolide mixt. with 3-((2-hydroxy-1-methyl-2-phenylethyl)amino)-1-(3-methoxyphenyl)-1-propanone.HCl
| Molecular Formula | C62H90ClNO18 |
|---|---|
| Molecular Weight | 1171.58 g/mol |
| LogP | 6.1904 |
| Topological Polar Surface Area | 267.69 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 16 |
| Exact Mass | 1171.5846 |
| Heavy Atoms | 82 |
| Complexity | 2471.0212 |
Chemical Identifiers
| CAS Number | 57607-36-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O.C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC.Cl |
Product Overview
Ildamen-Novodigal (CAS 57607-36-0), with molecular formula C62H90ClNO18 and molecular weight 1171.58 g/mol. IUPAC: [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl] acetate;3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one;hydrochloride.
Chemical Property Profile of Ildamen-Novodigal
Property Insights of Ildamen-Novodigal
The XLogP value of 6.1904 indicates that Ildamen-Novodigal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 267.69 Ų indicates high polarity, suggesting Ildamen-Novodigal may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ildamen-Novodigal has 7 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ildamen-Novodigal?
The CAS number of Ildamen-Novodigal is 57607-36-0.
What is the molecular formula of Ildamen-Novodigal?
The molecular formula of Ildamen-Novodigal is C62H90ClNO18.
What is the molecular weight of Ildamen-Novodigal?
The molecular weight of Ildamen-Novodigal is 1171.58 g/mol.
Where can I buy Ildamen-Novodigal?
You can request a quote for Ildamen-Novodigal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ildamen-Novodigal?
Yes, KEHONG BIO provides custom synthesis services for Ildamen-Novodigal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.