2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid
TL;DR: 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid (CAS 79679-46-2) is a chemical compound with molecular formula C34H50O8 and molecular weight 586.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,4aR,6aR,6bS,8aS,11S,12S,12aS,14aR,14bR)-2,3-diacetyloxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid
Also Known As: Sid 734806, 2alpha,3beta,20beta-Urs-delta 12-ene-23beta,28-dioic acid 2,3-diacetate, 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid, (2R,3R,4R,4aR,6aR,6bS,8aS,11S,12S,12aS,14aR,14bR)-2,3-diacetyloxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid, (2
| Molecular Formula | C34H50O8 |
|---|---|
| Molecular Weight | 586.35 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 586.3506 |
| Heavy Atoms | 42 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 79679-46-2 |
|---|---|
| SMILES | C[C@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@]5(C)C(=O)O)OC(=O)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
| InChIKey | FPOJHWIUZUDFHZ-ZBEAUVLGSA-N |
Product Overview
2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid (CAS 79679-46-2), with molecular formula C34H50O8 and molecular weight 586.35 g/mol. IUPAC: (2R,3R,4R,4aR,6aR,6bS,8aS,11S,12S,12aS,14aR,14bR)-2,3-diacetyloxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid.
Chemical Property Profile of 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid
Property Insights of 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid
The XLogP value of 6.2 indicates that 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid 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 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid. Following Lipinski's Rule of Five, 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid 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 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid?
The CAS number of 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid is 79679-46-2.
What is the molecular formula of 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid?
The molecular formula of 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid is C34H50O8.
What is the molecular weight of 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid?
The molecular weight of 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid is 586.35 g/mol.
Where can I buy 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid?
You can request a quote for 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis(acetyloxy)urs-12-ene-23,28-dioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.