1-(Isocyanatomethyl)-3-methoxybenzene
TL;DR: 1-(Isocyanatomethyl)-3-methoxybenzene (CAS 108622-87-3) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(isocyanatomethyl)-3-methoxybenzene
Also Known As: 1-(isocyanatomethyl)-3-methoxybenzene, 3-Methoxybenzyl isocyanate, Meta-methoxybenzyl isocyanate, 3-Methoxybenzyl isocyanate, 97%, 3-METHOXYBENZYLISOCYANATE97
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.531 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 303.15176 |
Chemical Identifiers
| CAS Number | 108622-87-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CN=C=O |
Product Overview
1-(Isocyanatomethyl)-3-methoxybenzene (CAS 108622-87-3), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-(isocyanatomethyl)-3-methoxybenzene.
Chemical Property Profile of 1-(Isocyanatomethyl)-3-methoxybenzene
Property Insights of 1-(Isocyanatomethyl)-3-methoxybenzene
The XLogP value of 1.531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Isocyanatomethyl)-3-methoxybenzene. With a topological polar surface area (TPSA) of 38.66 Ų, 1-(Isocyanatomethyl)-3-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Isocyanatomethyl)-3-methoxybenzene 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-(Isocyanatomethyl)-3-methoxybenzene?
The CAS number of 1-(Isocyanatomethyl)-3-methoxybenzene is 108622-87-3.
What is the molecular formula of 1-(Isocyanatomethyl)-3-methoxybenzene?
The molecular formula of 1-(Isocyanatomethyl)-3-methoxybenzene is C9H9NO2.
What is the molecular weight of 1-(Isocyanatomethyl)-3-methoxybenzene?
The molecular weight of 1-(Isocyanatomethyl)-3-methoxybenzene is 163.06 g/mol.
Where can I buy 1-(Isocyanatomethyl)-3-methoxybenzene?
You can request a quote for 1-(Isocyanatomethyl)-3-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Isocyanatomethyl)-3-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Isocyanatomethyl)-3-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.