Neogambogic acid
TL;DR: Neogambogic acid (CAS 1428127-36-9) is a chemical compound with molecular formula C38H46O9 and molecular weight 646.3142 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[10,12-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid
Also Known As: Neogambogic acid, (2E)-4-[10,12-DIHYDROXY-8,21,21-TRIMETHYL-5-(3-METHYLBUT-2-EN-1-YL)-8-(4-METHYLPENT-3-EN-1-YL)-14,18-DIOXO-3,7,20-TRIOXAHEXACYCLO[15.4.1.0(2),(1)?.0(2),(1)?.0?,(1)(3).0?,(1)(1)]DOCOSA-4(13),5,11,15-TETRAEN-19-YL]-2-METHYLBUT-2-ENOIC ACID, (E)-4-[10,12-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0^{2,15.0^{2,19.0^{4,13.0^{6,11]docosa-4,6(11),12,15-tetraen-19-yl]-2-methylbut-2-enoic acid, (E)-4-[10,12-dihydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,11,15-tetraen-19-yl]-2-methylbut-2-enoic acid, 4-(8,9-Dihydroxy-2,2,11-trimethyl-13-(3-methylbut-2-en-1-yl)-11-(4-methylpent-3-en-1-yl)-4,7-dioxo-1,2,5,7,10,11-hexahydro-9H-1,5-methanofuro[3,2-g]pyrano[3,2-b]xanthen-3a(4H)-yl)-2-methylbut-2-enoic acid
Technical Specifications
| Molecular Formula | C38H46O9 |
| Molecular Weight | 646.3142 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 646.3142 Da |
| Heavy Atoms | 47 |
| Complexity | 1480.0 |
| SMILES | CC(=CCCC1(CC(C2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)O)C)C |
| InChIKey | BLDWFKHVHHINGR-UHFFFAOYSA-N |
Chemical Property Profile of Neogambogic acid
Property Insights of Neogambogic acid
The XLogP value of 6.3 indicates that Neogambogic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Neogambogic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neogambogic acid has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Neogambogic acid?
The CAS number of Neogambogic acid is 1428127-36-9.
What is the molecular formula of Neogambogic acid?
The molecular formula of Neogambogic acid is C38H46O9.
What is the molecular weight of Neogambogic acid?
The molecular weight of Neogambogic acid is 646.3142 g/mol.
Where can I buy Neogambogic acid?
You can request a quote for Neogambogic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neogambogic acid?
Yes, CoreyChem provides custom synthesis services for Neogambogic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.