1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy-
TL;DR: 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy- (CAS 6398-50-1) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-3,4-dihydronaphthalene-1-carbonitrile
Also Known As: 6-methoxy-3,4-dihydronaphthalene-1-carbonitrile, 1-Cyano-6-methoxy-3,4-dihydronaphtalene, 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy-, 3,4-Dihydro-6-methoxy-1-naphthalenecarbonitrile, 6-methoxy-3,4-dihydro-1-naphthalenecarbonitrile
| Molecular Formula | C12H11NO |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 2.54838 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.08406 |
| Heavy Atoms | 14 |
| Complexity | 426.43814 |
Chemical Identifiers
| CAS Number | 6398-50-1 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=CCC2)C#N |
Product Overview
1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy- (CAS 6398-50-1), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: 6-methoxy-3,4-dihydronaphthalene-1-carbonitrile.
Chemical Property Profile of 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy-
Property Insights of 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy-
The XLogP value of 2.54838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy-. With a topological polar surface area (TPSA) of 33.02 Ų, 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy- 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 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy-?
The CAS number of 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy- is 6398-50-1.
What is the molecular formula of 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy-?
The molecular formula of 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy- is C12H11NO.
What is the molecular weight of 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy-?
The molecular weight of 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy- is 185.08 g/mol.
Where can I buy 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy-?
You can request a quote for 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthalenecarbonitrile, 3,4-dihydro-6-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.