1-Bromo-4-isocyanatonaphthalene
TL;DR: 1-Bromo-4-isocyanatonaphthalene (CAS 1591-96-4) is a chemical compound with molecular formula C11H6BrNO and molecular weight 246.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-isocyanatonaphthalene
Also Known As: 1-Bromo-4-isocyanatonaphthalene, 4-bromo-1-isocyanato-naphthalene, 1-BROMO-ISOCYANATONAPHTHALENE 97, Naphthalene, 1-bromo-4-isocyanato-, 1-Bromo-4-isocyanatonaphthalene, 97%
| Molecular Formula | C11H6BrNO |
|---|---|
| Molecular Weight | 246.96 g/mol |
| LogP | 3.5696 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.96329 |
| Heavy Atoms | 14 |
| Complexity | 529.7986 |
Chemical Identifiers
| CAS Number | 1591-96-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=C2Br)N=C=O |
Product Overview
1-Bromo-4-isocyanatonaphthalene (CAS 1591-96-4), with molecular formula C11H6BrNO and molecular weight 246.96 g/mol. IUPAC: 1-bromo-4-isocyanatonaphthalene.
Chemical Property Profile of 1-Bromo-4-isocyanatonaphthalene
Property Insights of 1-Bromo-4-isocyanatonaphthalene
The XLogP value of 3.5696 indicates that 1-Bromo-4-isocyanatonaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Bromo-4-isocyanatonaphthalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-isocyanatonaphthalene 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-Bromo-4-isocyanatonaphthalene?
The CAS number of 1-Bromo-4-isocyanatonaphthalene is 1591-96-4.
What is the molecular formula of 1-Bromo-4-isocyanatonaphthalene?
The molecular formula of 1-Bromo-4-isocyanatonaphthalene is C11H6BrNO.
What is the molecular weight of 1-Bromo-4-isocyanatonaphthalene?
The molecular weight of 1-Bromo-4-isocyanatonaphthalene is 246.96 g/mol.
Where can I buy 1-Bromo-4-isocyanatonaphthalene?
You can request a quote for 1-Bromo-4-isocyanatonaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-isocyanatonaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-isocyanatonaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.