3,23-二羟基齐墩果-12-烯-28,29-二酸
TL;DR: 3,23-二羟基齐墩果-12-烯-28,29-二酸 (CAS 102865-33-8) is a chemical compound with molecular formula C30H46O6 and molecular weight 502.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,23-二羟基齐墩果-12-烯-28,29-二酸
(2R,4aR,6aR,6aS,6bR,9S,10R,12aR,14bR)-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-2,4a-dicarboxylic acid
Also Known As: KST-1A0536, 3,23-Dihydroxyolean-12-ene-28,29-dioic acid, 3alpha,24-Dihydroxyolean-12-en-28,30-dioic acid, (3, A,5xi,18
| Molecular Formula | C30H46O6 |
|---|---|
| Molecular Weight | 502.33 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 502.32944 |
| Heavy Atoms | 36 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 102865-33-8 |
|---|---|
| SMILES | C[C@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CC[C@H]([C@]5(C)CO)O)C)C)[C@H]2C1)C)C(=O)O)C(=O)O |
| InChIKey | CLXOLTFMHAXJST-XIMFEVQISA-N |
Product Overview
3,23-二羟基齐墩果-12-烯-28,29-二酸 (CAS 102865-33-8), with molecular formula C30H46O6 and molecular weight 502.33 g/mol. IUPAC: (2R,4aR,6aR,6aS,6bR,9S,10R,12aR,14bR)-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-2,4a-dicarboxylic acid.
Chemical Property Profile of 3,23-二羟基齐墩果-12-烯-28,29-二酸
Property Insights of 3,23-二羟基齐墩果-12-烯-28,29-二酸
The XLogP value of 5.2 indicates that 3,23-二羟基齐墩果-12-烯-28,29-二酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,23-二羟基齐墩果-12-烯-28,29-二酸. Following Lipinski's Rule of Five, 3,23-二羟基齐墩果-12-烯-28,29-二酸 has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,23-二羟基齐墩果-12-烯-28,29-二酸?
The CAS number of 3,23-二羟基齐墩果-12-烯-28,29-二酸 is 102865-33-8.
What is the molecular formula of 3,23-二羟基齐墩果-12-烯-28,29-二酸?
The molecular formula of 3,23-二羟基齐墩果-12-烯-28,29-二酸 is C30H46O6.
What is the molecular weight of 3,23-二羟基齐墩果-12-烯-28,29-二酸?
The molecular weight of 3,23-二羟基齐墩果-12-烯-28,29-二酸 is 502.33 g/mol.
Where can I buy 3,23-二羟基齐墩果-12-烯-28,29-二酸?
You can request a quote for 3,23-二羟基齐墩果-12-烯-28,29-二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,23-二羟基齐墩果-12-烯-28,29-二酸?
Yes, KEHONG BIO provides custom synthesis services for 3,23-二羟基齐墩果-12-烯-28,29-二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.