3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid
TL;DR: 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid (CAS 13156-38-2) is a chemical compound with molecular formula C30H46O5 and molecular weight 486.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,6aR,6aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
Also Known As: KST-1A1077, 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid, (3, A,5xi,18, A)-3,24-dihydroxy-22-oxoolean-12-en-29-oic acid
| Molecular Formula | C30H46O5 |
|---|---|
| Molecular Weight | 486.33 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 486.33453 |
| Heavy Atoms | 35 |
| Complexity | 987.0 |
Chemical Identifiers
| CAS Number | 13156-38-2 |
|---|---|
| SMILES | C[C@]12CC[C@@H]([C@](C1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@@H]4CC(CC5=O)(C)C(=O)O)C)C)C)(C)CO)O |
| InChIKey | MVTZJCYINFKILV-ODOQEXKZSA-N |
Product Overview
3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid (CAS 13156-38-2), with molecular formula C30H46O5 and molecular weight 486.33 g/mol. IUPAC: (4aR,6aR,6aS,6bR,9S,10S,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid.
Chemical Property Profile of 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid
Property Insights of 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid
The XLogP value of 5.2 indicates that 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid. Following Lipinski's Rule of Five, 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid has 3 hydrogen bond donor(s) and 5 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-Dihydroxy-22-oxoolean-12-en-29-oic acid?
The CAS number of 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid is 13156-38-2.
What is the molecular formula of 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid?
The molecular formula of 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid is C30H46O5.
What is the molecular weight of 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid?
The molecular weight of 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid is 486.33 g/mol.
Where can I buy 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid?
You can request a quote for 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,23-Dihydroxy-22-oxoolean-12-en-29-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.