Officigenin
TL;DR: Officigenin (CAS 96253-65-5) is a chemical compound with molecular formula C60H92O9 and molecular weight 956.67 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4a-carboxy-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carbonyl]oxymethyl]-11-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Officigenin, 2-[[4a-carboxy-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carbonyl]oxymethyl]-11-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid, 29-[(2,28-Dihydroxy-28-oxoolean-12-en-29-yl)oxy]-3,23-dihydroxy-29-oxoolean-12-en-28-oic acid
| Molecular Formula | C60H92O9 |
|---|---|
| Molecular Weight | 956.67 g/mol |
| LogP | 11.8 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 956.67413 |
| Heavy Atoms | 69 |
| Complexity | 2230.0 |
Chemical Identifiers
| CAS Number | 96253-65-5 |
|---|---|
| SMILES | CC1(CC(CC2(C1CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)COC(=O)C6(CCC7(CCC8(C(=CCC9C8(CCC1C9(CCC(C1(C)CO)O)C)C)C7C6)C)C(=O)O)C)C(=O)O)C)C)C)O)C |
| InChIKey | JXAWRVUDELTQIY-UHFFFAOYSA-N |
Product Overview
Officigenin (CAS 96253-65-5), with molecular formula C60H92O9 and molecular weight 956.67 g/mol. IUPAC: 2-[[4a-carboxy-10-hydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carbonyl]oxymethyl]-11-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of Officigenin
Property Insights of Officigenin
The XLogP value of 11.8 indicates that Officigenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting Officigenin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Officigenin has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Officigenin?
The CAS number of Officigenin is 96253-65-5.
What is the molecular formula of Officigenin?
The molecular formula of Officigenin is C60H92O9.
What is the molecular weight of Officigenin?
The molecular weight of Officigenin is 956.67 g/mol.
Where can I buy Officigenin?
You can request a quote for Officigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Officigenin?
Yes, KEHONG BIO provides custom synthesis services for Officigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.