7-(3-(4-Chlorobenzidrilammino)propil)teofiline
TL;DR: 7-(3-(4-Chlorobenzidrilammino)propil)teofiline (CAS 72754-71-3) is a chemical compound with molecular formula C23H25Cl2N5O2 and molecular weight 473.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[[(3-chlorophenyl)-phenylmethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 7-(3-(4-Chlorobenzidrilammino)propil)teofiline, 7-(3-(4-Chlorobenzidrilammino)propil)teofiline [Italian], Theophylline, 7-(3-(((m-chlorophenyl)phenylmethyl)amino)propyl)-, hydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-(((3-chlorophenyl)phenylmethyl)amino)propyl)-1,3-dimethyl-, hydrochloride, 7-(3-{[(3-Chlorophenyl)(phenyl)methyl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
| Molecular Formula | C23H25Cl2N5O2 |
|---|---|
| Molecular Weight | 473.14 g/mol |
| LogP | 3.2782 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.13852 |
| Heavy Atoms | 32 |
| Complexity | 1327.9672 |
Chemical Identifiers
| CAS Number | 72754-71-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC(C3=CC=CC=C3)C4=CC(=CC=C4)Cl.Cl |
Product Overview
7-(3-(4-Chlorobenzidrilammino)propil)teofiline (CAS 72754-71-3), with molecular formula C23H25Cl2N5O2 and molecular weight 473.14 g/mol. IUPAC: 7-[3-[[(3-chlorophenyl)-phenylmethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of 7-(3-(4-Chlorobenzidrilammino)propil)teofiline
Property Insights of 7-(3-(4-Chlorobenzidrilammino)propil)teofiline
The XLogP value of 3.2782 indicates that 7-(3-(4-Chlorobenzidrilammino)propil)teofiline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-(4-Chlorobenzidrilammino)propil)teofiline. Following Lipinski's Rule of Five, 7-(3-(4-Chlorobenzidrilammino)propil)teofiline 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 7-(3-(4-Chlorobenzidrilammino)propil)teofiline?
The CAS number of 7-(3-(4-Chlorobenzidrilammino)propil)teofiline is 72754-71-3.
What is the molecular formula of 7-(3-(4-Chlorobenzidrilammino)propil)teofiline?
The molecular formula of 7-(3-(4-Chlorobenzidrilammino)propil)teofiline is C23H25Cl2N5O2.
What is the molecular weight of 7-(3-(4-Chlorobenzidrilammino)propil)teofiline?
The molecular weight of 7-(3-(4-Chlorobenzidrilammino)propil)teofiline is 473.14 g/mol.
Where can I buy 7-(3-(4-Chlorobenzidrilammino)propil)teofiline?
You can request a quote for 7-(3-(4-Chlorobenzidrilammino)propil)teofiline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-(4-Chlorobenzidrilammino)propil)teofiline?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-(4-Chlorobenzidrilammino)propil)teofiline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.