RefChem:239653
TL;DR: RefChem:239653 (CAS 52463-45-3) is a chemical compound with molecular formula C15H18ClN5O2 and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(aminomethyl)-7-benzyl-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-8-(aminomethyl)-1,3-dimethyl-7-(phenylmethyl)-, hydrochloride, Chlorowodorek 8-aminometylo-7-benzylo-1,3-dwumetyloksantyny, Chlorowodorek 8-aminometylo-7-benzylo-1,3-dwumetyloksantyny [Polish], 3,7-Dihydro-8-(aminomethyl)-1,3-dimethyl-7-(phenylmethyl)-1H-purine-2,6-dione hydrochloride, 8-(aminomethyl)-7-benzyl-1,3-dimethylpurine-2,6-dione hydrochloride
| Molecular Formula | C15H18ClN5O2 |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 0.3625 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.1149 |
| Heavy Atoms | 23 |
| Complexity | 955.8882 |
Chemical Identifiers
| CAS Number | 52463-45-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN)CC3=CC=CC=C3.Cl |
Product Overview
RefChem:239653 (CAS 52463-45-3), with molecular formula C15H18ClN5O2 and molecular weight 335.11 g/mol. IUPAC: 8-(aminomethyl)-7-benzyl-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of RefChem:239653
Property Insights of RefChem:239653
The XLogP value of 0.3625 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239653. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239653. Following Lipinski's Rule of Five, RefChem:239653 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 RefChem:239653?
The CAS number of RefChem:239653 is 52463-45-3.
What is the molecular formula of RefChem:239653?
The molecular formula of RefChem:239653 is C15H18ClN5O2.
What is the molecular weight of RefChem:239653?
The molecular weight of RefChem:239653 is 335.11 g/mol.
Where can I buy RefChem:239653?
You can request a quote for RefChem:239653 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239653?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239653 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.