Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride
TL;DR: Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride (CAS 78280-45-2) is a chemical compound with molecular formula C18H24ClN5O2 and molecular weight 377.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione;hydrochloride
Also Known As: H 814 [German], 7-(2-(Isopropyl-phenylamino)ethyl)theophylline hydrochloride, Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride, 1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dio, 1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione hydrochloride
| Molecular Formula | C18H24ClN5O2 |
|---|---|
| Molecular Weight | 377.16 g/mol |
| LogP | 1.7705 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.16187 |
| Heavy Atoms | 26 |
| Complexity | 1004.07874 |
Chemical Identifiers
| CAS Number | 78280-45-2 |
|---|---|
| SMILES | CC(C)N(CCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3.Cl |
Product Overview
Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride (CAS 78280-45-2), with molecular formula C18H24ClN5O2 and molecular weight 377.16 g/mol. IUPAC: 1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione;hydrochloride.
Chemical Property Profile of Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride
Property Insights of Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride
The XLogP value of 1.7705 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride. Following Lipinski's Rule of Five, Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride has 0 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 Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride?
The CAS number of Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride is 78280-45-2.
What is the molecular formula of Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride?
The molecular formula of Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride is C18H24ClN5O2.
What is the molecular weight of Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride?
The molecular weight of Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride is 377.16 g/mol.
Where can I buy Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride?
You can request a quote for Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Theophylline, 7-(2-(isopropyl-phenylamino)ethyl), hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.