3-Bromo-4-ethoxy-5-methoxybenzonitrile
TL;DR: 3-Bromo-4-ethoxy-5-methoxybenzonitrile (CAS 942474-29-5) is a chemical compound with molecular formula C10H10BrNO2 and molecular weight 254.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-4-ethoxy-5-methoxybenzonitrile
Also Known As: 3-bromo-4-ethoxy-5-methoxybenzonitrile, 3-Bromo-4-Ethoxy-5-Methoxy-Benzonitrile, 3-bromo-4-ethoxy-5-methoxybenzenecarbonitrile, 3-Nitro-4-(piperidin-4-ol-1-yl)benzoic acid, 3-Bromo-4-ethoxy-5-methoxybenzonitrile, AldrichCPR
| Molecular Formula | C10H10BrNO2 |
|---|---|
| Molecular Weight | 254.99 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.98949 |
| Heavy Atoms | 14 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 942474-29-5 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1Br)C#N)OC |
| InChIKey | AMMHOLOYPXBDNB-UHFFFAOYSA-N |
Product Overview
3-Bromo-4-ethoxy-5-methoxybenzonitrile (CAS 942474-29-5), with molecular formula C10H10BrNO2 and molecular weight 254.99 g/mol. IUPAC: 3-bromo-4-ethoxy-5-methoxybenzonitrile.
Chemical Property Profile of 3-Bromo-4-ethoxy-5-methoxybenzonitrile
Property Insights of 3-Bromo-4-ethoxy-5-methoxybenzonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-4-ethoxy-5-methoxybenzonitrile. With a topological polar surface area (TPSA) of 42.3 Ų, 3-Bromo-4-ethoxy-5-methoxybenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-4-ethoxy-5-methoxybenzonitrile 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 3-Bromo-4-ethoxy-5-methoxybenzonitrile?
The CAS number of 3-Bromo-4-ethoxy-5-methoxybenzonitrile is 942474-29-5.
What is the molecular formula of 3-Bromo-4-ethoxy-5-methoxybenzonitrile?
The molecular formula of 3-Bromo-4-ethoxy-5-methoxybenzonitrile is C10H10BrNO2.
What is the molecular weight of 3-Bromo-4-ethoxy-5-methoxybenzonitrile?
The molecular weight of 3-Bromo-4-ethoxy-5-methoxybenzonitrile is 254.99 g/mol.
Where can I buy 3-Bromo-4-ethoxy-5-methoxybenzonitrile?
You can request a quote for 3-Bromo-4-ethoxy-5-methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-4-ethoxy-5-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-4-ethoxy-5-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.