Yakkasterone
TL;DR: Yakkasterone (CAS 13027-33-3) is a chemical compound with molecular formula C27H46O3 and molecular weight 418.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dihydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one
Also Known As: Yakkasterone, TUNGSTENSULFIDE, 3,5-Dihydroxycholestan-6-one, A-hydroxy-6-keto Cholesterol, 3,5-Dihydroxycholestan-6-one #
| Molecular Formula | C27H46O3 |
|---|---|
| Molecular Weight | 418.34 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.3447 |
| Heavy Atoms | 30 |
| Complexity | 658.0 |
Chemical Identifiers
| CAS Number | 13027-33-3 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4(C3(CCC(C4)O)C)O)C |
| InChIKey | SJZZRXMQSAXCFD-UHFFFAOYSA-N |
Product Overview
Yakkasterone (CAS 13027-33-3), with molecular formula C27H46O3 and molecular weight 418.34 g/mol. IUPAC: 3,5-dihydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-one.
Chemical Property Profile of Yakkasterone
Property Insights of Yakkasterone
The XLogP value of 7.0 indicates that Yakkasterone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Yakkasterone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Yakkasterone has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Yakkasterone?
The CAS number of Yakkasterone is 13027-33-3.
What is the molecular formula of Yakkasterone?
The molecular formula of Yakkasterone is C27H46O3.
What is the molecular weight of Yakkasterone?
The molecular weight of Yakkasterone is 418.34 g/mol.
Where can I buy Yakkasterone?
You can request a quote for Yakkasterone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Yakkasterone?
Yes, KEHONG BIO provides custom synthesis services for Yakkasterone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.