1-Butoxy-4-isocyanatobenzene
TL;DR: 1-Butoxy-4-isocyanatobenzene (CAS 28439-86-3) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxy-4-isocyanatobenzene
Also Known As: 4-N-Butoxyphenyl Isocyanate, 1-butoxy-4-isocyanatobenzene, 4-Butoxyphenyl isocyanate, L-Quebrachitol, 4-butoxybenzenisocyanate
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 2.8328 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 312.56433 |
Chemical Identifiers
| CAS Number | 28439-86-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)N=C=O |
Product Overview
1-Butoxy-4-isocyanatobenzene (CAS 28439-86-3), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 1-butoxy-4-isocyanatobenzene.
Chemical Property Profile of 1-Butoxy-4-isocyanatobenzene
Property Insights of 1-Butoxy-4-isocyanatobenzene
The XLogP value of 2.8328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butoxy-4-isocyanatobenzene. With a topological polar surface area (TPSA) of 38.66 Ų, 1-Butoxy-4-isocyanatobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-4-isocyanatobenzene has 0 hydrogen bond donor(s) and 3 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-Butoxy-4-isocyanatobenzene?
The CAS number of 1-Butoxy-4-isocyanatobenzene is 28439-86-3.
What is the molecular formula of 1-Butoxy-4-isocyanatobenzene?
The molecular formula of 1-Butoxy-4-isocyanatobenzene is C11H13NO2.
What is the molecular weight of 1-Butoxy-4-isocyanatobenzene?
The molecular weight of 1-Butoxy-4-isocyanatobenzene is 191.09 g/mol.
Where can I buy 1-Butoxy-4-isocyanatobenzene?
You can request a quote for 1-Butoxy-4-isocyanatobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-4-isocyanatobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-4-isocyanatobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.