1-(Butan-2-yl)-4-isocyanobenzene
TL;DR: 1-(Butan-2-yl)-4-isocyanobenzene (CAS 602262-02-2) is a chemical compound with molecular formula C11H13N and molecular weight 159.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butan-2-yl-4-isocyanobenzene
Also Known As: 1-(Butan-2-yl)-4-isocyanobenzene, Benzene,1-isocyano-4- -, 1-butan-2-yl-4-isocyanobenzene, 1-(sec-butyl)-4-isocyanobenzene, 1-butan-2-yl-4-isocyano-benzene
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 3.75089 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 278.86758 |
Chemical Identifiers
| CAS Number | 602262-02-2 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)[N+]#[C-] |
Product Overview
1-(Butan-2-yl)-4-isocyanobenzene (CAS 602262-02-2), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: 1-butan-2-yl-4-isocyanobenzene.
Chemical Property Profile of 1-(Butan-2-yl)-4-isocyanobenzene
Property Insights of 1-(Butan-2-yl)-4-isocyanobenzene
The XLogP value of 3.75089 indicates that 1-(Butan-2-yl)-4-isocyanobenzene 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-(Butan-2-yl)-4-isocyanobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Butan-2-yl)-4-isocyanobenzene 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-(Butan-2-yl)-4-isocyanobenzene?
The CAS number of 1-(Butan-2-yl)-4-isocyanobenzene is 602262-02-2.
What is the molecular formula of 1-(Butan-2-yl)-4-isocyanobenzene?
The molecular formula of 1-(Butan-2-yl)-4-isocyanobenzene is C11H13N.
What is the molecular weight of 1-(Butan-2-yl)-4-isocyanobenzene?
The molecular weight of 1-(Butan-2-yl)-4-isocyanobenzene is 159.10 g/mol.
Where can I buy 1-(Butan-2-yl)-4-isocyanobenzene?
You can request a quote for 1-(Butan-2-yl)-4-isocyanobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Butan-2-yl)-4-isocyanobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Butan-2-yl)-4-isocyanobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.