1-(Isocyanomethyl)naphthalene
TL;DR: 1-(Isocyanomethyl)naphthalene (CAS 227023-80-5) is a chemical compound with molecular formula C12H9N and molecular weight 167.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(isocyanomethyl)naphthalene
Also Known As: 1-(isocyanomethyl)naphthalene, naphth-1-ylmethyl isocyanide, TOS-BB-0802
| Molecular Formula | C12H9N |
|---|---|
| Molecular Weight | 167.07 g/mol |
| LogP | 3.25909 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0735 |
| Heavy Atoms | 13 |
| Complexity | 460.50333 |
Chemical Identifiers
| CAS Number | 227023-80-5 |
|---|---|
| SMILES | [C-]#[N+]CC1=CC=CC2=CC=CC=C21 |
Product Overview
1-(Isocyanomethyl)naphthalene (CAS 227023-80-5), with molecular formula C12H9N and molecular weight 167.07 g/mol. IUPAC: 1-(isocyanomethyl)naphthalene.
Chemical Property Profile of 1-(Isocyanomethyl)naphthalene
Property Insights of 1-(Isocyanomethyl)naphthalene
The XLogP value of 3.25909 indicates that 1-(Isocyanomethyl)naphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 1-(Isocyanomethyl)naphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Isocyanomethyl)naphthalene has 0 hydrogen bond donor(s) and 0 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-(Isocyanomethyl)naphthalene?
The CAS number of 1-(Isocyanomethyl)naphthalene is 227023-80-5.
What is the molecular formula of 1-(Isocyanomethyl)naphthalene?
The molecular formula of 1-(Isocyanomethyl)naphthalene is C12H9N.
What is the molecular weight of 1-(Isocyanomethyl)naphthalene?
The molecular weight of 1-(Isocyanomethyl)naphthalene is 167.07 g/mol.
Where can I buy 1-(Isocyanomethyl)naphthalene?
You can request a quote for 1-(Isocyanomethyl)naphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Isocyanomethyl)naphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Isocyanomethyl)naphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.