4-氨基-2,5-二甲氧基苯甲腈
TL;DR: 4-氨基-2,5-二甲氧基苯甲腈 (CAS 5855-86-7) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基-2,5-二甲氧基苯甲腈
4-amino-2,5-dimethoxybenzonitrile
Also Known As: 4-amino-2,5-dimethoxybenzonitrile, Benzonitrile, 4-amino-2,5-dimethoxy-, Azoic DC 40(base), Fast Bordeaux BDC Base, C.I.37170(base)
| Molecular Formula | C9H10N2O2 |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.07423 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 5855-86-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C#N)OC)N |
| InChIKey | PFMALIJIGNRGFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基-2,5-二甲氧基苯甲腈 (CAS 5855-86-7), with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol. IUPAC: 4-amino-2,5-dimethoxybenzonitrile.
Chemical Property Profile of 4-氨基-2,5-二甲氧基苯甲腈
Property Insights of 4-氨基-2,5-二甲氧基苯甲腈
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氨基-2,5-二甲氧基苯甲腈. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氨基-2,5-二甲氧基苯甲腈. Following Lipinski's Rule of Five, 4-氨基-2,5-二甲氧基苯甲腈 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 4-氨基-2,5-二甲氧基苯甲腈?
The CAS number of 4-氨基-2,5-二甲氧基苯甲腈 is 5855-86-7.
What is the molecular formula of 4-氨基-2,5-二甲氧基苯甲腈?
The molecular formula of 4-氨基-2,5-二甲氧基苯甲腈 is C9H10N2O2.
What is the molecular weight of 4-氨基-2,5-二甲氧基苯甲腈?
The molecular weight of 4-氨基-2,5-二甲氧基苯甲腈 is 178.07 g/mol.
Where can I buy 4-氨基-2,5-二甲氧基苯甲腈?
You can request a quote for 4-氨基-2,5-二甲氧基苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基-2,5-二甲氧基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基-2,5-二甲氧基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.