Ccris 6989
TL;DR: Ccris 6989 (CAS 119979-95-2) is a chemical compound with molecular formula C44H64O14 and molecular weight 816.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1S,5R,9S,10R,13S,17R,18S,22R,26S,27R,30S,34R)-26-(carboxymethyl)-10,27-bis(methoxycarbonyl)-1,5,18,22-tetramethyl-14,31-dimethylidene-8,25-dioxo-7,11,24,28-tetraoxapentacyclo[28.4.0.05,34.013,18.017,22]tetratriacontan-9-yl]acetic acid
Also Known As: Cryptoporic acid D, 2-[(1S,5R,9S,10R,13S,17R,18S,22R,26S,27R,30S,34R)-26-(carboxymethyl)-10,27-bis(methoxycarbonyl)-1,5,18,22-tetramethyl-14,31-dimethylidene-8,25-dioxo-7,11,24,28-tetraoxapentacyclo[28.4.0.05,34.013,18.017,22]tetratriacontan-9-yl]acetic acid, 1beta,5 alpha-[[(1R,2S)-1-Methoxycarbonyl-2-carboxymethyl-3-oxopropane]-1,3-diylbis(oxymethylene)][5alpha,1 beta-[[(2S,3R)-3-methoxycarbonyl-2-carboxymethyl-1-oxopropane]-1,3-diylbis(oxymethylene)]bis[(1S,4aalpha)-2-methylene-5beta,8abeta-dimethyldecahydronaphthalene]], 7,11,24,28-Tetraoxapentacyclo(28.4.0.0(5,34).0(13,18).0(17,22))tetratriacontane-9,26-diacetic acid, 8,25-bis(methoxycarbonyl)-13,17,30,34-tetramethyl-4,21-bis(methylene)-10,27-dioxo-, (1R-(1R*,5S*,8R*,9S*,13R*,17S*,18R*,22S*,25R*,26S*,30R*,34S*))-
| Molecular Formula | C44H64O14 |
|---|---|
| Molecular Weight | 816.43 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 816.4296 |
| Heavy Atoms | 58 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 119979-95-2 |
|---|---|
| SMILES | C[C@@]12CCC[C@]3([C@H]1CCC(=C)[C@@H]3CO[C@H]([C@@H](C(=O)OC[C@@]4(CCC[C@]5([C@H]4CCC(=C)[C@@H]5CO[C@H]([C@@H](C(=O)OC2)CC(=O)O)C(=O)OC)C)C)CC(=O)O)C(=O)OC)C |
| InChIKey | OXFMLGZWGZNFCM-UOXLEDAOSA-N |
Product Overview
Ccris 6989 (CAS 119979-95-2), with molecular formula C44H64O14 and molecular weight 816.43 g/mol. IUPAC: 2-[(1S,5R,9S,10R,13S,17R,18S,22R,26S,27R,30S,34R)-26-(carboxymethyl)-10,27-bis(methoxycarbonyl)-1,5,18,22-tetramethyl-14,31-dimethylidene-8,25-dioxo-7,11,24,28-tetraoxapentacyclo[28.4.0.05,34.013,18.017,22]tetratriacontan-9-yl]acetic acid.
Chemical Property Profile of Ccris 6989
Property Insights of Ccris 6989
The XLogP value of 6.1 indicates that Ccris 6989 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting Ccris 6989 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ccris 6989 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ccris 6989?
The CAS number of Ccris 6989 is 119979-95-2.
What is the molecular formula of Ccris 6989?
The molecular formula of Ccris 6989 is C44H64O14.
What is the molecular weight of Ccris 6989?
The molecular weight of Ccris 6989 is 816.43 g/mol.
Where can I buy Ccris 6989?
You can request a quote for Ccris 6989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ccris 6989?
Yes, KEHONG BIO provides custom synthesis services for Ccris 6989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.