ES 770
TL;DR: ES 770 (CAS 50472-64-5) is a chemical compound with molecular formula C16H21ClN6O3 and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-(pyridin-3-ylmethylamino)propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: ES 770, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-3-((3-pyridinylmethyl)amino)propyl)-, monohydrochloride, 7-[2-hydroxy-3-(pyridin-3-ylmethylamino)propyl]-1,3-dimethylpurine-2,6-dione hydrochloride, 7-(2-Hydroxy-3-{[(pyridin-3-yl)methyl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)
| Molecular Formula | C16H21ClN6O3 |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | -0.5988 |
| Topological Polar Surface Area | 106.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.13635 |
| Heavy Atoms | 26 |
| Complexity | 994.8731 |
Chemical Identifiers
| CAS Number | 50472-64-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNCC3=CN=CC=C3)O.Cl |
Product Overview
ES 770 (CAS 50472-64-5), with molecular formula C16H21ClN6O3 and molecular weight 380.14 g/mol. IUPAC: 7-[2-hydroxy-3-(pyridin-3-ylmethylamino)propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of ES 770
Property Insights of ES 770
The XLogP value of -0.5988 indicates that ES 770 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.97 Ų falls within the moderate polarity range, balancing permeability and solubility for ES 770. Following Lipinski's Rule of Five, ES 770 has 2 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 ES 770?
The CAS number of ES 770 is 50472-64-5.
What is the molecular formula of ES 770?
The molecular formula of ES 770 is C16H21ClN6O3.
What is the molecular weight of ES 770?
The molecular weight of ES 770 is 380.14 g/mol.
Where can I buy ES 770?
You can request a quote for ES 770 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ES 770?
Yes, KEHONG BIO provides custom synthesis services for ES 770 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.