Nepetoidin A
TL;DR: Nepetoidin A (CAS 130233-90-8) is a chemical compound with molecular formula C17H14O6 and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-2-(3,5-dihydroxyphenyl)ethenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Nepetoidin A, [(Z)-2-(3,5-dihydroxyphenyl)ethenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, (1Z)-2-(3,5-dihydroxyphenyl)ethenyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, (E)-3-(3,4-Dihydroxyphenyl)propenoic acid (Z)-2-(3,5-dihydroxyphenyl)ethenyl ester, (Z,E)-2-(3,5-Dihydroxyphenyl) ethenyl ester of 3-(3,4-dihydroxyphenyl)-2-propenoic acid
| Molecular Formula | C17H14O6 |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 2.7363 |
| Topological Polar Surface Area | 107.22 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.07904 |
| Heavy Atoms | 23 |
| Complexity | 756.3982 |
Chemical Identifiers
| CAS Number | 130233-90-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/C(=O)O/C=C\C2=CC(=CC(=C2)O)O)O)O |
Product Overview
Nepetoidin A (CAS 130233-90-8), with molecular formula C17H14O6 and molecular weight 314.08 g/mol. IUPAC: [(Z)-2-(3,5-dihydroxyphenyl)ethenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Nepetoidin A
Property Insights of Nepetoidin A
The XLogP value of 2.7363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nepetoidin A. The TPSA of 107.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Nepetoidin A. Following Lipinski's Rule of Five, Nepetoidin A has 4 hydrogen bond donor(s) and 6 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 Nepetoidin A?
The CAS number of Nepetoidin A is 130233-90-8.
What is the molecular formula of Nepetoidin A?
The molecular formula of Nepetoidin A is C17H14O6.
What is the molecular weight of Nepetoidin A?
The molecular weight of Nepetoidin A is 314.08 g/mol.
Where can I buy Nepetoidin A?
You can request a quote for Nepetoidin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nepetoidin A?
Yes, KEHONG BIO provides custom synthesis services for Nepetoidin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.