2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈
TL;DR: 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈 (CAS 171102-55-9) is a chemical compound with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈
2-amino-6-(3,5-dimethylphenyl)sulfonylbenzonitrile
Also Known As: 1jlq, 2-amino-6-(3,5-dimethylphenyl)sulfonylbenzonitrile, 739W94, 2-amino-6-(3,5-dimethylbenzenesulfonyl)benzonitrile, J2.035.053I
| Molecular Formula | C15H14N2O2S |
|---|---|
| Molecular Weight | 286.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.0776 |
| Heavy Atoms | 20 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 171102-55-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2C#N)N)C |
| InChIKey | SWGDXLAZBZDUBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈 (CAS 171102-55-9), with molecular formula C15H14N2O2S and molecular weight 286.08 g/mol. IUPAC: 2-amino-6-(3,5-dimethylphenyl)sulfonylbenzonitrile.
Chemical Property Profile of 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈
Property Insights of 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈
The XLogP value of 3.0 indicates that 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈. Following Lipinski's Rule of Five, 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈 has 1 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-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈?
The CAS number of 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈 is 171102-55-9.
What is the molecular formula of 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈?
The molecular formula of 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈 is C15H14N2O2S.
What is the molecular weight of 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈?
The molecular weight of 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈 is 286.08 g/mol.
Where can I buy 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈?
You can request a quote for 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氨基-6-(3,5-二甲基苯基)磺酰基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.