Sinulabosterol
TL;DR: Sinulabosterol (CAS 18836-86-7) is a chemical compound with molecular formula C30H46O6 and molecular weight 502.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,3R,8S,9S,10R,11R,13S,14S,17R)-3-acetyloxy-1,11-dihydroxy-10-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carboxylic acid
Also Known As: Sinulabosterol, KST-1A2304, Acetic acid,bromo-,1-methyl-1-phenylethyl ester, 24-Methylene-1alpha,3beta,11alpha-trihydroxycholest-5-ene-18-oic acid-3-acetate, (1S,3R,8S,9S,10R,11R,13S,14S,17R)-3-acetyloxy-1,11-dihydroxy-10-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carboxylic acid
| Molecular Formula | C30H46O6 |
|---|---|
| Molecular Weight | 502.33 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 502.32944 |
| Heavy Atoms | 36 |
| Complexity | 922.0 |
Chemical Identifiers
| CAS Number | 18836-86-7 |
|---|---|
| SMILES | C[C@H](CCC(=C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)O)C)O)C(=O)O |
| InChIKey | KXIOSDNSPNDLOE-MVCBVGLWSA-N |
Product Overview
Sinulabosterol (CAS 18836-86-7), with molecular formula C30H46O6 and molecular weight 502.33 g/mol. IUPAC: (1S,3R,8S,9S,10R,11R,13S,14S,17R)-3-acetyloxy-1,11-dihydroxy-10-methyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carboxylic acid.
Chemical Property Profile of Sinulabosterol
Property Insights of Sinulabosterol
The XLogP value of 5.6 indicates that Sinulabosterol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sinulabosterol. Following Lipinski's Rule of Five, Sinulabosterol has 3 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 Sinulabosterol?
The CAS number of Sinulabosterol is 18836-86-7.
What is the molecular formula of Sinulabosterol?
The molecular formula of Sinulabosterol is C30H46O6.
What is the molecular weight of Sinulabosterol?
The molecular weight of Sinulabosterol is 502.33 g/mol.
Where can I buy Sinulabosterol?
You can request a quote for Sinulabosterol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sinulabosterol?
Yes, KEHONG BIO provides custom synthesis services for Sinulabosterol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.