刺囊酸-3-O-硫酸酯
TL;DR: 刺囊酸-3-O-硫酸酯 (CAS 152013-72-4) is a chemical compound with molecular formula C30H48NaO7S+ and molecular weight 575.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
刺囊酸-3-O-硫酸酯
sodium (4aR,5R,6aR,6aS,6bR,8aR,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-sulfooxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Echinocystic acid-3-O-sulfate, Echinocystic acid 3-O-sodium sulfate, Echinocystic acid-3-O-sodium sulfate, 16-Hydroxy-3-(sulfooxy)olean-12-en-28-oic acid monosodium salt, (3beta,16alpha)-, sodium (4aR,5R,6aR,6aS,6bR,8aR,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-sulfooxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
| Molecular Formula | C30H48NaO7S+ |
|---|---|
| Molecular Weight | 575.30 g/mol |
| LogP | 3.0355 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 575.3018 |
| Heavy Atoms | 39 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 152013-72-4 |
|---|---|
| SMILES | C[C@]12CCC(C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@H]([C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)O)C)C)(C)C)OS(=O)(=O)O.[Na+] |
| InChIKey | JIJSEQNPAJALDU-KEDXJNOMSA-N |
Product Overview
刺囊酸-3-O-硫酸酯 (CAS 152013-72-4), with molecular formula C30H48NaO7S+ and molecular weight 575.30 g/mol. IUPAC: sodium (4aR,5R,6aR,6aS,6bR,8aR,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-sulfooxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 刺囊酸-3-O-硫酸酯
Property Insights of 刺囊酸-3-O-硫酸酯
The XLogP value of 3.0355 indicates that 刺囊酸-3-O-硫酸酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 刺囊酸-3-O-硫酸酯. Following Lipinski's Rule of Five, 刺囊酸-3-O-硫酸酯 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 刺囊酸-3-O-硫酸酯?
The CAS number of 刺囊酸-3-O-硫酸酯 is 152013-72-4.
What is the molecular formula of 刺囊酸-3-O-硫酸酯?
The molecular formula of 刺囊酸-3-O-硫酸酯 is C30H48NaO7S+.
What is the molecular weight of 刺囊酸-3-O-硫酸酯?
The molecular weight of 刺囊酸-3-O-硫酸酯 is 575.30 g/mol.
Where can I buy 刺囊酸-3-O-硫酸酯?
You can request a quote for 刺囊酸-3-O-硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 刺囊酸-3-O-硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 刺囊酸-3-O-硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.