7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 478252-85-6) is a chemical compound with molecular formula C16H22ClN5O2 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
Also Known As: BAS 05914661, 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione, 7-(3-Chlorobut-2-en-1-yl)-1,3-dimethyl-8-(piperidin-1-yl)-1H-purine-2,6(3H,7H)-dione, 7-(3-CL-2-BUTENYL)-1,3-DI-ME-8-(1-PIPERIDINYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, 7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
| Molecular Formula | C16H22ClN5O2 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 1.5666 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.1462 |
| Heavy Atoms | 24 |
| Complexity | 911.16144 |
Chemical Identifiers
| CAS Number | 478252-85-6 |
|---|---|
| SMILES | CC(=CCN1C2=C(N=C1N3CCCCC3)N(C(=O)N(C2=O)C)C)Cl |
Product Overview
7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione (CAS 478252-85-6), with molecular formula C16H22ClN5O2 and molecular weight 351.15 g/mol. IUPAC: 7-(3-chlorobut-2-enyl)-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione.
Chemical Property Profile of 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.5666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione has 0 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 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione is 478252-85-6.
What is the molecular formula of 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione is C16H22ClN5O2.
What is the molecular weight of 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione is 351.15 g/mol.
Where can I buy 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-(3-CL-2-Butenyl)-1,3-DI-ME-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.