Xestobergsterol A
TL;DR: Xestobergsterol A (CAS 141272-45-9) is a chemical compound with molecular formula C27H44O5 and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5R,7R,8S,9R,13R,16R,18S,19R,20R)-5,16,19,20-tetrahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one
Also Known As: Xestobergsterol A, tetrahydroxy-isobutyl-trimethyl-[?]one, 3,6,7,23-Tetrahydroxy-16,23-cyclocholestan-15-one, (2R,4S,5R,7R,8S,9R,13R,16R,18S,19R,20R)-5,16,19,20-tetrahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo(10.8.0.02,9.04,8.013,18)icosan-3-one, (2R,4S,5R,7R,8S,9R,13R,16R,18S,19R,20R)-5,16,19,20-tetrahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one
| Molecular Formula | C27H44O5 |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 448.31888 |
| Heavy Atoms | 32 |
| Complexity | 782.0 |
Chemical Identifiers
| CAS Number | 141272-45-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@]([C@@H]2[C@H]1[C@]3(CCC4C([C@H]3C2=O)[C@H]([C@@H]([C@@H]5[C@@]4(CC[C@H](C5)O)C)O)O)C)(CC(C)C)O |
| InChIKey | NXIUUQKBFNWMSY-GUYYLKMKSA-N |
Product Overview
Xestobergsterol A (CAS 141272-45-9), with molecular formula C27H44O5 and molecular weight 448.32 g/mol. IUPAC: (2R,4S,5R,7R,8S,9R,13R,16R,18S,19R,20R)-5,16,19,20-tetrahydroxy-7,9,13-trimethyl-5-(2-methylpropyl)pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one.
Chemical Property Profile of Xestobergsterol A
Property Insights of Xestobergsterol A
The XLogP value of 3.5 indicates that Xestobergsterol A 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 Xestobergsterol A. Following Lipinski's Rule of Five, Xestobergsterol A has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xestobergsterol A?
The CAS number of Xestobergsterol A is 141272-45-9.
What is the molecular formula of Xestobergsterol A?
The molecular formula of Xestobergsterol A is C27H44O5.
What is the molecular weight of Xestobergsterol A?
The molecular weight of Xestobergsterol A is 448.32 g/mol.
Where can I buy Xestobergsterol A?
You can request a quote for Xestobergsterol A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xestobergsterol A?
Yes, KEHONG BIO provides custom synthesis services for Xestobergsterol A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.