RefChem:239539
TL;DR: RefChem:239539 (CAS 78721-09-2) is a chemical compound with molecular formula C24H29ClN6O3 and molecular weight 484.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-7-[3-(benzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-((phenylmethyl)amino)propyl)-8-((phenylmethyl)amino)-, monohydrochloride, 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-( -8-( -,monohydrochloride, 7-[3-(Benzylamino)-2-hydroxypropyl]-8-(benzylimino)-1,3-dimethyl-3,7,8,9-tetrahydro-1H-purine-2,6-dione--hydrogen chloride (1/1), 8-(benzylamino)-7-[3-(benzylamino)-2-hydroxy-propyl]-1,3-dimethyl-purine-2,6-dione Hydrochloride, 8-(benzylamino)-7-[3-(benzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione hydrochloride
| Molecular Formula | C24H29ClN6O3 |
|---|---|
| Molecular Weight | 484.20 g/mol |
| LogP | 1.6183 |
| Topological Polar Surface Area | 106.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 484.19897 |
| Heavy Atoms | 34 |
| Complexity | 1348.6388 |
Chemical Identifiers
| CAS Number | 78721-09-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(CNCC4=CC=CC=C4)O.Cl |
Product Overview
RefChem:239539 (CAS 78721-09-2), with molecular formula C24H29ClN6O3 and molecular weight 484.20 g/mol. IUPAC: 8-(benzylamino)-7-[3-(benzylamino)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of RefChem:239539
Property Insights of RefChem:239539
The XLogP value of 1.6183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239539. The TPSA of 106.11 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239539. Following Lipinski's Rule of Five, RefChem:239539 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:239539?
The CAS number of RefChem:239539 is 78721-09-2.
What is the molecular formula of RefChem:239539?
The molecular formula of RefChem:239539 is C24H29ClN6O3.
What is the molecular weight of RefChem:239539?
The molecular weight of RefChem:239539 is 484.20 g/mol.
Where can I buy RefChem:239539?
You can request a quote for RefChem:239539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239539?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.