乙磺酸-3-氨基苯甲腈(1:1)
TL;DR: 乙磺酸-3-氨基苯甲腈(1:1) (CAS 19226-35-8) is a chemical compound with molecular formula C9H12N2O3S and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙磺酸-3-氨基苯甲腈(1:1)
3-aminobenzonitrile;ethanesulfonic acid
Also Known As: M-AMINOBENZONITRILE MIXTURE, ethanesulfonic acid- 3-aminobenzonitrile(1:1), 3-aminobenzonitrile,ethanesulfonic acid, 3-aminobenzonitrile; ethanesulfonic acid, Ethanesulfonic acid-3-aminobenzonitrile(1:1)
| Molecular Formula | C9H12N2O3S |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 1.03458 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.05687 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 19226-35-8 |
|---|---|
| SMILES | CCS(=O)(=O)O.C1=CC(=CC(=C1)N)C#N |
| InChIKey | IGJJLWYWHOZMQS-UHFFFAOYSA-N |
Product Overview
乙磺酸-3-氨基苯甲腈(1:1) (CAS 19226-35-8), with molecular formula C9H12N2O3S and molecular weight 228.06 g/mol. IUPAC: 3-aminobenzonitrile;ethanesulfonic acid.
Chemical Property Profile of 乙磺酸-3-氨基苯甲腈(1:1)
Property Insights of 乙磺酸-3-氨基苯甲腈(1:1)
The XLogP value of 1.03458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙磺酸-3-氨基苯甲腈(1:1). The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 乙磺酸-3-氨基苯甲腈(1:1). Following Lipinski's Rule of Five, 乙磺酸-3-氨基苯甲腈(1:1) has 2 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 乙磺酸-3-氨基苯甲腈(1:1)?
The CAS number of 乙磺酸-3-氨基苯甲腈(1:1) is 19226-35-8.
What is the molecular formula of 乙磺酸-3-氨基苯甲腈(1:1)?
The molecular formula of 乙磺酸-3-氨基苯甲腈(1:1) is C9H12N2O3S.
What is the molecular weight of 乙磺酸-3-氨基苯甲腈(1:1)?
The molecular weight of 乙磺酸-3-氨基苯甲腈(1:1) is 228.06 g/mol.
Where can I buy 乙磺酸-3-氨基苯甲腈(1:1)?
You can request a quote for 乙磺酸-3-氨基苯甲腈(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙磺酸-3-氨基苯甲腈(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 乙磺酸-3-氨基苯甲腈(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.