RefChem:239629
TL;DR: RefChem:239629 (CAS 157309-20-1) is a chemical compound with molecular formula C17H28ClN5O2 and molecular weight 369.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-[cyclohexyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Also Known As: 7-(3-(N-methyl-N-cyclohexyl)aminopropyl)-1,3-dimethylxanthine hydrochloride, 7-(3-(Cyclohexylmethylamino)propyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride, 1H-Purine-2,6-dione, 3,7-dihydro-7-(3-(cyclohexylmethylamino)propyl)-1,3-dimethyl-, monohydrochloride, 7-{3-[Cyclohexyl(methyl)amino]propyl}-1,3-dimethyl-3,7-dihyd, 7-{3-[cyclohexyl(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione hydrochloride(1:1)
| Molecular Formula | C17H28ClN5O2 |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 1.5101 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.19315 |
| Heavy Atoms | 25 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 157309-20-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN(C)C3CCCCC3.Cl |
| InChIKey | MYAOJVGJDPBEFU-UHFFFAOYSA-N |
Product Overview
RefChem:239629 (CAS 157309-20-1), with molecular formula C17H28ClN5O2 and molecular weight 369.19 g/mol. IUPAC: 7-[3-[cyclohexyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride.
Chemical Property Profile of RefChem:239629
Property Insights of RefChem:239629
The XLogP value of 1.5101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:239629. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239629. Following Lipinski's Rule of Five, RefChem:239629 has 1 hydrogen bond donor(s) and 4 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:239629?
The CAS number of RefChem:239629 is 157309-20-1.
What is the molecular formula of RefChem:239629?
The molecular formula of RefChem:239629 is C17H28ClN5O2.
What is the molecular weight of RefChem:239629?
The molecular weight of RefChem:239629 is 369.19 g/mol.
Where can I buy RefChem:239629?
You can request a quote for RefChem:239629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.