4-异氰基-1,2-二甲氧基苯
TL;DR: 4-异氰基-1,2-二甲氧基苯 (CAS 33904-01-7) 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.
4-异氰基-1,2-二甲氧基苯
4-isocyano-1,2-dimethoxybenzene
Also Known As: 4-isocyano-1,2-dimethoxybenzene, 3,4-Dimethoxyphenylisocyanide, 3,4-Dimethoxyphenyl isocyanide, 2-PHENYLCYCLOHEXANOL, 3,4-dimethoxybenzeneisonitrile
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 22.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 33904-01-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)[N+]#[C-])OC |
| InChIKey | UIWYJZOWWULGKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-异氰基-1,2-二甲氧基苯 (CAS 33904-01-7), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 4-isocyano-1,2-dimethoxybenzene.
Chemical Property Profile of 4-异氰基-1,2-二甲氧基苯
Property Insights of 4-异氰基-1,2-二甲氧基苯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-异氰基-1,2-二甲氧基苯. With a topological polar surface area (TPSA) of 22.8 Ų, 4-异氰基-1,2-二甲氧基苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-异氰基-1,2-二甲氧基苯 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 4-异氰基-1,2-二甲氧基苯?
The CAS number of 4-异氰基-1,2-二甲氧基苯 is 33904-01-7.
What is the molecular formula of 4-异氰基-1,2-二甲氧基苯?
The molecular formula of 4-异氰基-1,2-二甲氧基苯 is C9H9NO2.
What is the molecular weight of 4-异氰基-1,2-二甲氧基苯?
The molecular weight of 4-异氰基-1,2-二甲氧基苯 is 163.06 g/mol.
Where can I buy 4-异氰基-1,2-二甲氧基苯?
You can request a quote for 4-异氰基-1,2-二甲氧基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-异氰基-1,2-二甲氧基苯?
Yes, KEHONG BIO provides custom synthesis services for 4-异氰基-1,2-二甲氧基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.