Weinbersterol二硫酸酯A
TL;DR: Weinbersterol二硫酸酯A (CAS 134515-53-0) is a chemical compound with molecular formula C30H52O10S2 and molecular weight 636.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Weinbersterol二硫酸酯A
[(2S,3S,5S,10S,13S,16S,17R)-16-hydroxy-17-[2-hydroxy-4-(2-methyl-1-propan-2-ylcyclopropyl)butan-2-yl]-10,13-dimethyl-2-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Also Known As: Sterol HB99, Weinbersterol disulfate A, 24-Norcholane-2,3,16,20-tetrol, 23-(2-methyl-1-(1-methylethyl)cyclopropyl)-, 2,3-bis(hydrogen sulfate), (2beta,3alpha,5alpha,16beta,20xi)-, [(2S,3S,5S,10S,13S,16S,17R)-16-hydroxy-17-[1-hydroxy-3-(1-isopropyl-2-methyl-cyclopropyl)-1-methyl-propyl]-10,13-dimethyl-2-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate, [(2S,3S,5S,10S,13S,16S,17R)-16-hydroxy-17-[2-hydroxy-4-(2-methyl-1-propan-2-ylcyclopropyl)butan-2-yl]-10,13-dimethyl-2-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
| Molecular Formula | C30H52O10S2 |
|---|---|
| Molecular Weight | 636.30 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 636.3002 |
| Heavy Atoms | 42 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 134515-53-0 |
|---|---|
| SMILES | CC1CC1(CCC(C)([C@H]2[C@H](CC3[C@@]2(CCC4C3CC[C@@H]5[C@@]4(C[C@@H]([C@H](C5)OS(=O)(=O)O)OS(=O)(=O)O)C)C)O)O)C(C)C |
| InChIKey | DNLPVXFQHZAMAQ-KRENUUKMSA-N |
Product Overview
Weinbersterol二硫酸酯A (CAS 134515-53-0), with molecular formula C30H52O10S2 and molecular weight 636.30 g/mol. IUPAC: [(2S,3S,5S,10S,13S,16S,17R)-16-hydroxy-17-[2-hydroxy-4-(2-methyl-1-propan-2-ylcyclopropyl)butan-2-yl]-10,13-dimethyl-2-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate.
Chemical Property Profile of Weinbersterol二硫酸酯A
Property Insights of Weinbersterol二硫酸酯A
The XLogP value of 5.9 indicates that Weinbersterol二硫酸酯A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 184.0 Ų indicates high polarity, suggesting Weinbersterol二硫酸酯A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Weinbersterol二硫酸酯A has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Weinbersterol二硫酸酯A?
The CAS number of Weinbersterol二硫酸酯A is 134515-53-0.
What is the molecular formula of Weinbersterol二硫酸酯A?
The molecular formula of Weinbersterol二硫酸酯A is C30H52O10S2.
What is the molecular weight of Weinbersterol二硫酸酯A?
The molecular weight of Weinbersterol二硫酸酯A is 636.30 g/mol.
Where can I buy Weinbersterol二硫酸酯A?
You can request a quote for Weinbersterol二硫酸酯A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Weinbersterol二硫酸酯A?
Yes, KEHONG BIO provides custom synthesis services for Weinbersterol二硫酸酯A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.