PZQ7C4AJA4
TL;DR: PZQ7C4AJA4 (CAS 1236-36-8) is a chemical compound with molecular formula C16H20ClN5O2 and molecular weight 349.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(benzylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 7-(2-(Benzylamino)ethyl)theophylline hydrochloride, Theophylline, 7-(2-(benzylamino)ethyl)-, hydrochloride, 7-[2-(Benzylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride, 7-(beta-Benzyl-amino-aethyl)-theophyllin-hydrochlorid, 7-(beta-Benzyl-amino-aethyl)-theophyllin-hydrochlorid [German]
| Molecular Formula | C16H20ClN5O2 |
|---|---|
| Molecular Weight | 349.13 g/mol |
| LogP | 0.65 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.13055 |
| Heavy Atoms | 24 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 1236-36-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC3=CC=CC=C3.Cl |
| InChIKey | ZDYNLEXCQDOPCC-UHFFFAOYSA-N |
Product Overview
PZQ7C4AJA4 (CAS 1236-36-8), with molecular formula C16H20ClN5O2 and molecular weight 349.13 g/mol. IUPAC: 7-[2-(benzylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of PZQ7C4AJA4
Property Insights of PZQ7C4AJA4
The XLogP value of 0.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PZQ7C4AJA4. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for PZQ7C4AJA4. Following Lipinski's Rule of Five, PZQ7C4AJA4 has 2 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 PZQ7C4AJA4?
The CAS number of PZQ7C4AJA4 is 1236-36-8.
What is the molecular formula of PZQ7C4AJA4?
The molecular formula of PZQ7C4AJA4 is C16H20ClN5O2.
What is the molecular weight of PZQ7C4AJA4?
The molecular weight of PZQ7C4AJA4 is 349.13 g/mol.
Where can I buy PZQ7C4AJA4?
You can request a quote for PZQ7C4AJA4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PZQ7C4AJA4?
Yes, KEHONG BIO provides custom synthesis services for PZQ7C4AJA4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.