RefChem:388194
TL;DR: RefChem:388194 (CAS 146029-91-6) is a chemical compound with molecular formula C46H54Na2O8 and molecular weight 780.3614 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;2-[[(1S,2R,4aS,6aR,6bS,8aR,10S,12aS,14bS)-10-(2-carboxylatobenzoyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-4a-yl]methoxycarbonyl]benzoate
Also Known As: 1,2-Benzenedicarboxylic acid, 1,1'-(ursa-9(11),12-diene-3,28-diyl) ester, disodium salt,, Ursa-9(11),12-diene-3,28-diol, bis(hydrogen 1,2-benzendicarboxylate), disodium salt, (3-beta)-, Disodium 2,2'-[ursa-9(11),12-diene-3,28-diylbis(oxycarbonyl)]dibenzoate, Disodium 2,2'-[3beta-ursa-9(11),12-diene-3,28-diylbis(oxycarbonyl)]dibenzoate, disodium 2-[[(1S,2R,4aS,6aR,6bS,8aR,10S,12aS,14bS)-10-(2-carboxylatobenzoyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,14b-dodecahydro-1H-picen-4a-yl]methoxycarbonyl]benzoate
Technical Specifications
| Molecular Formula | C46H54Na2O8 |
| Molecular Weight | 780.3614 g/mol |
| XLogP | 1.3817 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 780.3614 Da |
| Heavy Atoms | 56 |
| Complexity | 1580.0 |
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC=C4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C6=CC=CC=C6C(=O)[O-])C)C)[C@@H]2[C@H]1C)C)COC(=O)C7=CC=CC=C7C(=O)[O-].[Na+].[Na+] |
| InChIKey | GJARYLQSCIDVEF-PPHBCKGOSA-L |
Chemical Property Profile of RefChem:388194
Property Insights of RefChem:388194
The XLogP value of 1.3817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:388194. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:388194. Following Lipinski's Rule of Five, RefChem:388194 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:388194?
The CAS number of RefChem:388194 is 146029-91-6.
What is the molecular formula of RefChem:388194?
The molecular formula of RefChem:388194 is C46H54Na2O8.
What is the molecular weight of RefChem:388194?
The molecular weight of RefChem:388194 is 780.3614 g/mol.
Where can I buy RefChem:388194?
You can request a quote for RefChem:388194 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:388194?
Yes, CoreyChem provides custom synthesis services for RefChem:388194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.