4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile
TL;DR: 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile (CAS 80036-88-0) is a chemical compound with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-ethylsulfonyl-2-methoxybenzonitrile
Also Known As: EINECS 279-378-6, 4-amino-5- -2-methoxybenzonitrile, 4-amino-5-ethylsulfonyl-2-methoxybenzonitrile, 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile, 4-AMINO-5-(ETHYLSULFONYL)-2-METHOXYBENZONITRILE
| Molecular Formula | C10H12N2O3S |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 0.94268 |
| Topological Polar Surface Area | 93.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.05687 |
| Heavy Atoms | 16 |
| Complexity | 543.91797 |
Chemical Identifiers
| CAS Number | 80036-88-0 |
|---|---|
| SMILES | CCS(=O)(=O)C1=C(C=C(C(=C1)C#N)OC)N |
Product Overview
4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile (CAS 80036-88-0), with molecular formula C10H12N2O3S and molecular weight 240.06 g/mol. IUPAC: 4-amino-5-ethylsulfonyl-2-methoxybenzonitrile.
Chemical Property Profile of 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile
Property Insights of 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile
The XLogP value of 0.94268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile. The TPSA of 93.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile. Following Lipinski's Rule of Five, 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile has 1 hydrogen bond donor(s) and 5 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-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile?
The CAS number of 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile is 80036-88-0.
What is the molecular formula of 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile?
The molecular formula of 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile is C10H12N2O3S.
What is the molecular weight of 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile?
The molecular weight of 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile is 240.06 g/mol.
Where can I buy 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile?
You can request a quote for 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-(ethylsulphonyl)-2-methoxybenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.