RefChem:1058366
TL;DR: RefChem:1058366 (CAS 78740-20-2) is a chemical compound with molecular formula C17H21N5O4 and molecular weight 359.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 7-(2,3-Dihydroxypropyl)-8-benzylaminotheophylline, BAS 02378978, AB01286930-01, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-((phenylmethyl)amino)-, 3,7-Dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione
| Molecular Formula | C17H21N5O4 |
|---|---|
| Molecular Weight | 359.16 g/mol |
| LogP | -0.601 |
| Topological Polar Surface Area | 114.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.15936 |
| Heavy Atoms | 26 |
| Complexity | 1035.2184 |
Chemical Identifiers
| CAS Number | 78740-20-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CO)O |
Product Overview
RefChem:1058366 (CAS 78740-20-2), with molecular formula C17H21N5O4 and molecular weight 359.16 g/mol. IUPAC: 8-(benzylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of RefChem:1058366
Property Insights of RefChem:1058366
The XLogP value of -0.601 indicates that RefChem:1058366 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.31 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058366. Following Lipinski's Rule of Five, RefChem:1058366 has 3 hydrogen bond donor(s) and 6 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:1058366?
The CAS number of RefChem:1058366 is 78740-20-2.
What is the molecular formula of RefChem:1058366?
The molecular formula of RefChem:1058366 is C17H21N5O4.
What is the molecular weight of RefChem:1058366?
The molecular weight of RefChem:1058366 is 359.16 g/mol.
Where can I buy RefChem:1058366?
You can request a quote for RefChem:1058366 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058366?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058366 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.