RefChem:239624
TL;DR: RefChem:239624 (CAS 13055-83-9) is a chemical compound with molecular formula C18H24ClN5O5 and molecular weight 425.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: D 1946 (+), 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-((2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)amino)propyl)-1,3-dimethyl-, monohydrochloride, (S)-, D 1946 (-), 7-(3-{[(2S)-2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]amino}propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1), 7-[3-[[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride
| Molecular Formula | C18H24ClN5O5 |
|---|---|
| Molecular Weight | 425.15 g/mol |
| LogP | -0.02 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.1466 |
| Heavy Atoms | 29 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 13055-83-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC[C@H](C3=CC(=C(C=C3)O)O)O.Cl |
| InChIKey | LUVIPEVDQTWORB-PFEQFJNWSA-N |
Product Overview
RefChem:239624 (CAS 13055-83-9), with molecular formula C18H24ClN5O5 and molecular weight 425.15 g/mol. IUPAC: 7-[3-[[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of RefChem:239624
Property Insights of RefChem:239624
The XLogP value of -0.02 indicates that RefChem:239624 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239624. Following Lipinski's Rule of Five, RefChem:239624 has 5 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 RefChem:239624?
The CAS number of RefChem:239624 is 13055-83-9.
What is the molecular formula of RefChem:239624?
The molecular formula of RefChem:239624 is C18H24ClN5O5.
What is the molecular weight of RefChem:239624?
The molecular weight of RefChem:239624 is 425.15 g/mol.
Where can I buy RefChem:239624?
You can request a quote for RefChem:239624 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239624?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239624 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.