![3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile structure](/static/products/5643/56437-05-9.webp)
3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
TL;DR: 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (CAS 56437-05-9) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
Also Known As: 4-methoxybenzocyclobutane-1-carbonitrile, 3-methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile, J1.463.325A, 4-Methoxy-1,2-dihydrobenzocyclobutene-1-carbonitrile
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 1.85848 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 351.34647 |
Chemical Identifiers
| CAS Number | 56437-05-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(C2)C#N |
Product Overview
3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile (CAS 56437-05-9), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile.
Chemical Property Profile of 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Property Insights of 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
The XLogP value of 1.85848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile has 0 hydrogen bond donor(s) and 2 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 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
The CAS number of 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is 56437-05-9.
What is the molecular formula of 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
The molecular formula of 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is C10H9NO.
What is the molecular weight of 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
The molecular weight of 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile is 159.07 g/mol.
Where can I buy 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
You can request a quote for 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.