EINECS 288-151-0
TL;DR: EINECS 288-151-0 (CAS 85665-61-8) is a chemical compound with molecular formula C24H26ClN5O5 and molecular weight 499.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[benzyl-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: EINECS 288-151-0, 7-(2-((2-(3,4-Dihydroxyphenyl)-2-oxoethyl)(phenylmethyl)amino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride, 7-(2-(Benzyl-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)amino)ethyl)-1,3-dimethylpurine-2,6-dione hydrochloride, 1H-PURINE-2,6-DIONE, 7-(2-((2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL)(PHENYLMETHYL)AMINO)ETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-, HYDROCHLORIDE (1:1), 1H-PURINE-2,6-DIONE, 7-(2-((2-(3,4-DIHYDROXYPHENYL)-2-OXOETHYL)(PHENYLMETHYL)AMINO)ETHYL)-3,7-DIHYDRO-1,3-DIMETHYL-, MONOHYDROCHLORIDE
| Molecular Formula | C24H26ClN5O5 |
|---|---|
| Molecular Weight | 499.16 g/mol |
| LogP | 1.6518 |
| Topological Polar Surface Area | 122.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 499.16223 |
| Heavy Atoms | 35 |
| Complexity | 1475.6793 |
Chemical Identifiers
| CAS Number | 85665-61-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(CC3=CC=CC=C3)CC(=O)C4=CC(=C(C=C4)O)O.Cl |
Product Overview
EINECS 288-151-0 (CAS 85665-61-8), with molecular formula C24H26ClN5O5 and molecular weight 499.16 g/mol. IUPAC: 7-[2-[benzyl-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of EINECS 288-151-0
Property Insights of EINECS 288-151-0
The XLogP value of 1.6518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 288-151-0. The TPSA of 122.59 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 288-151-0. Following Lipinski's Rule of Five, EINECS 288-151-0 has 2 hydrogen bond donor(s) and 7 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 EINECS 288-151-0?
The CAS number of EINECS 288-151-0 is 85665-61-8.
What is the molecular formula of EINECS 288-151-0?
The molecular formula of EINECS 288-151-0 is C24H26ClN5O5.
What is the molecular weight of EINECS 288-151-0?
The molecular weight of EINECS 288-151-0 is 499.16 g/mol.
Where can I buy EINECS 288-151-0?
You can request a quote for EINECS 288-151-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 288-151-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 288-151-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.