S-Alkylthiuroniumsalz
TL;DR: S-Alkylthiuroniumsalz (CAS 3545-59-3) is a chemical compound with molecular formula C30H42O6 and molecular weight 498.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3-cyclopentylpropanoate
Also Known As: S-Alkylthiuroniumsalz, KST-1A4264, 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 21-(3-cyclopentylpropionate), (6, A,11
| Molecular Formula | C30H42O6 |
|---|---|
| Molecular Weight | 498.30 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.29813 |
| Heavy Atoms | 36 |
| Complexity | 991.0 |
Chemical Identifiers
| CAS Number | 3545-59-3 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)COC(=O)CCC5CCCC5)O |
| InChIKey | SVZRBMJEINPFCK-HVBFQCNSSA-N |
Product Overview
S-Alkylthiuroniumsalz (CAS 3545-59-3), with molecular formula C30H42O6 and molecular weight 498.30 g/mol. IUPAC: [2-[(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3-cyclopentylpropanoate.
Chemical Property Profile of S-Alkylthiuroniumsalz
Property Insights of S-Alkylthiuroniumsalz
The XLogP value of 5.2 indicates that S-Alkylthiuroniumsalz is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Alkylthiuroniumsalz. Following Lipinski's Rule of Five, S-Alkylthiuroniumsalz has 2 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 S-Alkylthiuroniumsalz?
The CAS number of S-Alkylthiuroniumsalz is 3545-59-3.
What is the molecular formula of S-Alkylthiuroniumsalz?
The molecular formula of S-Alkylthiuroniumsalz is C30H42O6.
What is the molecular weight of S-Alkylthiuroniumsalz?
The molecular weight of S-Alkylthiuroniumsalz is 498.30 g/mol.
Where can I buy S-Alkylthiuroniumsalz?
You can request a quote for S-Alkylthiuroniumsalz directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Alkylthiuroniumsalz?
Yes, KEHONG BIO provides custom synthesis services for S-Alkylthiuroniumsalz and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.