2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene
TL;DR: 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene (CAS 185302-38-9) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclopentyloxy-4-isocyanato-1-methoxybenzene
Also Known As: 3-cyclopentoxy-4-methoxyphenylisocyanate, 3-(Cyclopentyloxy)-4-methoxyphenyl isocyanate, 2-cyclopentyloxy-4-isocyanato-1-methoxybenzene, BUTTPARK 46\04-52, 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 2.9839 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 432.29077 |
Chemical Identifiers
| CAS Number | 185302-38-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N=C=O)OC2CCCC2 |
Product Overview
2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene (CAS 185302-38-9), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 2-cyclopentyloxy-4-isocyanato-1-methoxybenzene.
Chemical Property Profile of 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene
Property Insights of 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene
The XLogP value of 2.9839 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene. With a topological polar surface area (TPSA) of 47.89 Ų, 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene has 0 hydrogen bond donor(s) and 4 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 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene?
The CAS number of 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene is 185302-38-9.
What is the molecular formula of 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene?
The molecular formula of 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene is C13H15NO3.
What is the molecular weight of 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene?
The molecular weight of 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene is 233.11 g/mol.
Where can I buy 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene?
You can request a quote for 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-(Cyclopentyloxy)-4-isocyanato-1-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.