椴酸
TL;DR: 椴酸 (CAS 5436-85-1) 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.
椴酸
(4aS,6aS,6aS,6bR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid
Also Known As: Bassic acid, Bassiaic acid, KST-1A5742, KST-1A5743, NCI60_034340
| Molecular Formula | C30H46O5 |
|---|---|
| Molecular Weight | 486.33 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 486.33453 |
| Heavy Atoms | 35 |
| Complexity | 997.0 |
Chemical Identifiers
| CAS Number | 5436-85-1 |
|---|---|
| SMILES | C[C@@]12CC[C@]3(CCC(C[C@H]3C1=CC[C@H]4[C@]2(CC=C5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)(C)C)C(=O)O |
| InChIKey | FJGGNIPUSLFYJJ-QJTVMKANSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
椴酸 (CAS 5436-85-1), with molecular formula C30H46O5 and molecular weight 486.33 g/mol. IUPAC: (4aS,6aS,6aS,6bR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,10,11,12,13,14b-dodecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 椴酸
Property Insights of 椴酸
The XLogP value of 5.1 indicates that 椴酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 椴酸. Following Lipinski's Rule of Five, 椴酸 has 4 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 椴酸?
The CAS number of 椴酸 is 5436-85-1.
What is the molecular formula of 椴酸?
The molecular formula of 椴酸 is C30H46O5.
What is the molecular weight of 椴酸?
The molecular weight of 椴酸 is 486.33 g/mol.
Where can I buy 椴酸?
You can request a quote for 椴酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 椴酸?
Yes, KEHONG BIO provides custom synthesis services for 椴酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.