RefChem:239517
TL;DR: RefChem:239517 (CAS 62932-62-1) is a chemical compound with molecular formula C18H22ClN5O4 and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-[[1-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: D 476 (+-), 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((2-(4-hydroxyphenyl)-1-methyl-2-oxoethyl)amino)ethyl)-, monohydrochloride, (+-)-, 7-(2-{[1-(4-Hydroxyphenyl)-1-oxopropan-2-yl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1), 7-[2-[[1-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione hydrochloride
| Molecular Formula | C18H22ClN5O4 |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 0.4221 |
| Topological Polar Surface Area | 111.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.13602 |
| Heavy Atoms | 28 |
| Complexity | 1113.9369 |
Chemical Identifiers
| CAS Number | 62932-62-1 |
|---|---|
| SMILES | CC(C(=O)C1=CC=C(C=C1)O)NCCN2C=NC3=C2C(=O)N(C(=O)N3C)C.Cl |
Product Overview
RefChem:239517 (CAS 62932-62-1), with molecular formula C18H22ClN5O4 and molecular weight 407.14 g/mol. IUPAC: 7-[2-[[1-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of RefChem:239517
Property Insights of RefChem:239517
The XLogP value of 0.4221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239517. The TPSA of 111.15 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239517. Following Lipinski's Rule of Five, RefChem:239517 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 RefChem:239517?
The CAS number of RefChem:239517 is 62932-62-1.
What is the molecular formula of RefChem:239517?
The molecular formula of RefChem:239517 is C18H22ClN5O4.
What is the molecular weight of RefChem:239517?
The molecular weight of RefChem:239517 is 407.14 g/mol.
Where can I buy RefChem:239517?
You can request a quote for RefChem:239517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239517?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.