RefChem:239612
TL;DR: RefChem:239612 (CAS 157309-18-7) is a chemical compound with molecular formula C20H31N5O8 and molecular weight 469.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[cyclohexyl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: 7-(2-(N-Methyl-N-cyclohexyl)aminoethyl)-1,3-dimethylxanthine tartrate, 7-(2-(Cyclohexylmethylamino)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione tartrate, 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(cyclohexylmethylamino)ethyl)-1,3-dimethyl-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1), (2R,3R)-2,3-Dihydroxybutanedioic acid--7-{2-[cyclohexyl(methyl)amino]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1/1), 7-[2-[cyclohexyl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione; (2R,3R)-2,3-dihydroxybutanedioic acid
| Molecular Formula | C20H31N5O8 |
|---|---|
| Molecular Weight | 469.22 g/mol |
| LogP | -1.4244 |
| Topological Polar Surface Area | 180.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.21725 |
| Heavy Atoms | 33 |
| Complexity | 1080.2909 |
Chemical Identifiers
| CAS Number | 157309-18-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C3CCCCC3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
RefChem:239612 (CAS 157309-18-7), with molecular formula C20H31N5O8 and molecular weight 469.22 g/mol. IUPAC: 7-[2-[cyclohexyl(methyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of RefChem:239612
Property Insights of RefChem:239612
The XLogP value of -1.4244 indicates that RefChem:239612 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.12 Ų indicates high polarity, suggesting RefChem:239612 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:239612 has 4 hydrogen bond donor(s) and 8 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:239612?
The CAS number of RefChem:239612 is 157309-18-7.
What is the molecular formula of RefChem:239612?
The molecular formula of RefChem:239612 is C20H31N5O8.
What is the molecular weight of RefChem:239612?
The molecular weight of RefChem:239612 is 469.22 g/mol.
Where can I buy RefChem:239612?
You can request a quote for RefChem:239612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239612?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.