2,4-Dimethoxybenzene-1-carbonyl cyanide
TL;DR: 2,4-Dimethoxybenzene-1-carbonyl cyanide (CAS 72371-47-2) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethoxybenzoyl cyanide
Also Known As: 2,4-dimethoxybenzoyl cyanide, 2,4-Dimethoxybenzene-1-carbonyl cyanide
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 72371-47-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=O)C#N)OC |
| InChIKey | AXKKSYFFDBSJND-UHFFFAOYSA-N |
Product Overview
2,4-Dimethoxybenzene-1-carbonyl cyanide (CAS 72371-47-2), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 2,4-dimethoxybenzoyl cyanide.
Chemical Property Profile of 2,4-Dimethoxybenzene-1-carbonyl cyanide
Property Insights of 2,4-Dimethoxybenzene-1-carbonyl cyanide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethoxybenzene-1-carbonyl cyanide. With a topological polar surface area (TPSA) of 59.3 Ų, 2,4-Dimethoxybenzene-1-carbonyl cyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethoxybenzene-1-carbonyl cyanide 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 2,4-Dimethoxybenzene-1-carbonyl cyanide?
The CAS number of 2,4-Dimethoxybenzene-1-carbonyl cyanide is 72371-47-2.
What is the molecular formula of 2,4-Dimethoxybenzene-1-carbonyl cyanide?
The molecular formula of 2,4-Dimethoxybenzene-1-carbonyl cyanide is C10H9NO3.
What is the molecular weight of 2,4-Dimethoxybenzene-1-carbonyl cyanide?
The molecular weight of 2,4-Dimethoxybenzene-1-carbonyl cyanide is 191.06 g/mol.
Where can I buy 2,4-Dimethoxybenzene-1-carbonyl cyanide?
You can request a quote for 2,4-Dimethoxybenzene-1-carbonyl cyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethoxybenzene-1-carbonyl cyanide?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethoxybenzene-1-carbonyl cyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.