Dehydroandrographolide succinic acid ester
TL;DR: Dehydroandrographolide succinic acid ester (CAS 134418-29-4) is a chemical compound with molecular formula C48H64O14 and molecular weight 864.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(1R,2R,4aS,5R,8aS)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-[(2E)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid;4-[[(1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[(2E)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl]oxy]-4-oxobutanoic acid
Also Known As: DASM, Dehydroandrographolide succinic acid ester, Butanedioic acid, monoester with (1R-(1alpha,2alpha,4aalpha,5beta(E),8abeta))-3-(2-(decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethylidene)-2(3H)-furanone, 4-[[(1R,2R,4aS,5R,8aS)-2-hydroxy-1,4a-dimethyl-6-methylene-5-[(2E)-2-(2-oxo-3-furylidene)ethyl]decalin-1-yl]methoxy]-4-oxo-butanoic acid; 4-[(1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylene-5-[(2E)-2-(2-oxo-3-furylidene)ethyl]decalin-2-yl]oxy-4-oxo-butanoic acid, 4-[[(1R,2R,4aS,5R,8aS)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-[(2E)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid; 4-[[(1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[(2E)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl]oxy]-4-oxobutanoic acid
| Molecular Formula | C48H64O14 |
|---|---|
| Molecular Weight | 864.43 g/mol |
| LogP | 7.0622 |
| Topological Polar Surface Area | 220.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 14 |
| Exact Mass | 864.4296 |
| Heavy Atoms | 62 |
| Complexity | 1845.5688 |
Chemical Identifiers
| CAS Number | 134418-29-4 |
|---|---|
| SMILES | C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\C=COC3=O)(C)COC(=O)CCC(=O)O)O.C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\C=COC3=O)(C)CO)OC(=O)CCC(=O)O |
Product Overview
Dehydroandrographolide succinic acid ester (CAS 134418-29-4), with molecular formula C48H64O14 and molecular weight 864.43 g/mol. IUPAC: 4-[[(1R,2R,4aS,5R,8aS)-2-hydroxy-1,4a-dimethyl-6-methylidene-5-[(2E)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoic acid;4-[[(1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylidene-5-[(2E)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of Dehydroandrographolide succinic acid ester
Property Insights of Dehydroandrographolide succinic acid ester
The XLogP value of 7.0622 indicates that Dehydroandrographolide succinic acid ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 220.26 Ų indicates high polarity, suggesting Dehydroandrographolide succinic acid ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dehydroandrographolide succinic acid ester has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dehydroandrographolide succinic acid ester?
The CAS number of Dehydroandrographolide succinic acid ester is 134418-29-4.
What is the molecular formula of Dehydroandrographolide succinic acid ester?
The molecular formula of Dehydroandrographolide succinic acid ester is C48H64O14.
What is the molecular weight of Dehydroandrographolide succinic acid ester?
The molecular weight of Dehydroandrographolide succinic acid ester is 864.43 g/mol.
Where can I buy Dehydroandrographolide succinic acid ester?
You can request a quote for Dehydroandrographolide succinic acid ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroandrographolide succinic acid ester?
Yes, KEHONG BIO provides custom synthesis services for Dehydroandrographolide succinic acid ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.