Neihumicin
TL;DR: Neihumicin (CAS 111451-12-8) is a chemical compound with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z,6Z)-3,6-dibenzylidene-5-methoxypyrazin-2-one
Also Known As: Neihumicin, Neihumycin, (3Z,6Z)-3,6-dibenzylidene-5-methoxypyrazin-2-one, 3,6-Dibenzylidene-2-methoxy-3,6-dihydropyrazin-5-one, 3,6-dibenzylidene-5-methoxy-3,6-dihydropyrazin-2(1H)-one
| Molecular Formula | C19H16N2O2 |
|---|---|
| Molecular Weight | 304.12 g/mol |
| LogP | 1.4361 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.1212 |
| Heavy Atoms | 23 |
| Complexity | 961.7466 |
Chemical Identifiers
| CAS Number | 111451-12-8 |
|---|---|
| SMILES | COC\1=N/C(=C\C2=CC=CC=C2)/C(=O)N/C1=C\C3=CC=CC=C3 |
Product Overview
Neihumicin (CAS 111451-12-8), with molecular formula C19H16N2O2 and molecular weight 304.12 g/mol. IUPAC: (3Z,6Z)-3,6-dibenzylidene-5-methoxypyrazin-2-one.
Chemical Property Profile of Neihumicin
Property Insights of Neihumicin
The XLogP value of 1.4361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neihumicin. With a topological polar surface area (TPSA) of 54.98 Ų, Neihumicin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neihumicin has 1 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 Neihumicin?
The CAS number of Neihumicin is 111451-12-8.
What is the molecular formula of Neihumicin?
The molecular formula of Neihumicin is C19H16N2O2.
What is the molecular weight of Neihumicin?
The molecular weight of Neihumicin is 304.12 g/mol.
Where can I buy Neihumicin?
You can request a quote for Neihumicin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neihumicin?
Yes, KEHONG BIO provides custom synthesis services for Neihumicin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.