Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt
TL;DR: Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt (CAS 102416-29-5) is a chemical compound with molecular formula C46H56O8 and molecular weight 736.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid
Also Known As: ODDD, J1.029.118F, Olean-11,13(18)-diene-3,30-diol-3,30-di-2-hemiphthalate, 2-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid, Olean-11,13(18)-diene-3,30-diol dihemiphthalate
| Molecular Formula | C46H56O8 |
|---|---|
| Molecular Weight | 736.40 g/mol |
| LogP | 10.8 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 736.3975 |
| Heavy Atoms | 54 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 102416-29-5 |
|---|---|
| SMILES | C[C@]12CC[C@](CC1=C3C=C[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6C(=O)O)C)(C)COC(=O)C7=CC=CC=C7C(=O)O |
| InChIKey | AKEMIRQFANFFKU-NCYRAAIKSA-N |
Product Overview
Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt (CAS 102416-29-5), with molecular formula C46H56O8 and molecular weight 736.40 g/mol. IUPAC: 2-[[(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS)-10-(2-carboxybenzoyl)oxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicen-2-yl]methoxycarbonyl]benzoic acid.
Chemical Property Profile of Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt
Property Insights of Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt
The XLogP value of 10.8 indicates that Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt. Following Lipinski's Rule of Five, Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt?
The CAS number of Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt is 102416-29-5.
What is the molecular formula of Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt?
The molecular formula of Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt is C46H56O8.
What is the molecular weight of Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt?
The molecular weight of Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt is 736.40 g/mol.
Where can I buy Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt?
You can request a quote for Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for Olean-11,13(18)-diene-3,30-diol dihemiphthalate, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.