Kneglomeratanone B
TL;DR: Kneglomeratanone B (CAS 155233-38-8) is a chemical compound with molecular formula C21H34O3 and molecular weight 334.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dihydroxy-6-tridecylphenyl)ethanone
Also Known As: Kneglomeratanone B, 1-(2,4-dihydroxy-6-tridecylphenyl)ethanone, Ethanone, 1-(2,4-dihydroxy-6-tridecylphenyl)-, Ethanone,1-(2,4-dihydroxy-6-tridecylphenyl), 1-(2,4-Dihydroxy-6-tridecylphenyl)ethan-1-one
| Molecular Formula | C21H34O3 |
|---|---|
| Molecular Weight | 334.25 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 334.2508 |
| Heavy Atoms | 24 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 155233-38-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)C |
| InChIKey | LKFIFZHFSPDZEZ-UHFFFAOYSA-N |
Product Overview
Kneglomeratanone B (CAS 155233-38-8), with molecular formula C21H34O3 and molecular weight 334.25 g/mol. IUPAC: 1-(2,4-dihydroxy-6-tridecylphenyl)ethanone.
Chemical Property Profile of Kneglomeratanone B
Property Insights of Kneglomeratanone B
The XLogP value of 8.2 indicates that Kneglomeratanone B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Kneglomeratanone B exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Kneglomeratanone B 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 Kneglomeratanone B?
The CAS number of Kneglomeratanone B is 155233-38-8.
What is the molecular formula of Kneglomeratanone B?
The molecular formula of Kneglomeratanone B is C21H34O3.
What is the molecular weight of Kneglomeratanone B?
The molecular weight of Kneglomeratanone B is 334.25 g/mol.
Where can I buy Kneglomeratanone B?
You can request a quote for Kneglomeratanone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Kneglomeratanone B?
Yes, KEHONG BIO provides custom synthesis services for Kneglomeratanone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.