4-Phenylbut-1-ylisocyanide
TL;DR: 4-Phenylbut-1-ylisocyanide (CAS 602262-84-0) 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.
4-isocyanobutylbenzene
Also Known As: 4-isocyanobutylbenzene, 4-Phenylbut-1-ylisocyanide, (4-ISOCYANOBUTYL)BENZENE, 1-Isocyano-3-isopropoxypropane
| Molecular Formula | C11H13N |
|---|---|
| Molecular Weight | 159.10 g/mol |
| LogP | 2.92859 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.1048 |
| Heavy Atoms | 12 |
| Complexity | 245.45667 |
Chemical Identifiers
| CAS Number | 602262-84-0 |
|---|---|
| SMILES | [C-]#[N+]CCCCC1=CC=CC=C1 |
Product Overview
4-Phenylbut-1-ylisocyanide (CAS 602262-84-0), with molecular formula C11H13N and molecular weight 159.10 g/mol. IUPAC: 4-isocyanobutylbenzene.
Chemical Property Profile of 4-Phenylbut-1-ylisocyanide
Property Insights of 4-Phenylbut-1-ylisocyanide
The XLogP value of 2.92859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenylbut-1-ylisocyanide. With a topological polar surface area (TPSA) of 4.36 Ų, 4-Phenylbut-1-ylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylbut-1-ylisocyanide 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 4-Phenylbut-1-ylisocyanide?
The CAS number of 4-Phenylbut-1-ylisocyanide is 602262-84-0.
What is the molecular formula of 4-Phenylbut-1-ylisocyanide?
The molecular formula of 4-Phenylbut-1-ylisocyanide is C11H13N.
What is the molecular weight of 4-Phenylbut-1-ylisocyanide?
The molecular weight of 4-Phenylbut-1-ylisocyanide is 159.10 g/mol.
Where can I buy 4-Phenylbut-1-ylisocyanide?
You can request a quote for 4-Phenylbut-1-ylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylbut-1-ylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylbut-1-ylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.