Nakienone A
TL;DR: Nakienone A (CAS 161407-85-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(hydroxymethyl)-2-[(2E)-1-hydroxypenta-2,4-dien-2-yl]cyclopent-2-en-1-one
Also Known As: Nakienone A, 3-(hydroxymethyl)-2-[(2E)-1-hydroxypenta-2,4-dien-2-yl]cyclopent-2-en-1-one, (E)-3-(hydroxymethyl)-2-(1-hydroxypenta-2,4-dien-2-yl)cyclopent-2-enone, 2-[(1E)-1-(Hydroxymethyl)-1,3-butadienyl]-3-(hydroxymethyl)-2-cyclopenten-1-one, 3-(Hydroxymethyl)-2-[(1E)-1-(hydroxymethyl)-1,3-butadienyl]-2-cyclopentene-1-one
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 0.7429 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 310.49432 |
Chemical Identifiers
| CAS Number | 161407-85-8 |
|---|---|
| SMILES | C=C/C=C(/CO)\C1=C(CCC1=O)CO |
Product Overview
Nakienone A (CAS 161407-85-8), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 3-(hydroxymethyl)-2-[(2E)-1-hydroxypenta-2,4-dien-2-yl]cyclopent-2-en-1-one.
Chemical Property Profile of Nakienone A
Property Insights of Nakienone A
The XLogP value of 0.7429 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nakienone A. With a topological polar surface area (TPSA) of 57.53 Ų, Nakienone A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nakienone A has 2 hydrogen bond donor(s) and 3 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 Nakienone A?
The CAS number of Nakienone A is 161407-85-8.
What is the molecular formula of Nakienone A?
The molecular formula of Nakienone A is C11H14O3.
What is the molecular weight of Nakienone A?
The molecular weight of Nakienone A is 194.09 g/mol.
Where can I buy Nakienone A?
You can request a quote for Nakienone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nakienone A?
Yes, KEHONG BIO provides custom synthesis services for Nakienone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.