8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
TL;DR: 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 478253-06-4) is a chemical compound with molecular formula C17H24ClN5O2 and molecular weight 365.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 06502922, 8-(azepan-1-yl)-7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione, F1352-0037, (Z)-8-(azepan-1-yl)-7-(3-chlorobut-2-en-1-yl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(azepan-1-yl)-7-[(2Z)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C17H24ClN5O2 |
|---|---|
| Molecular Weight | 365.16 g/mol |
| LogP | 1.9567 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.16187 |
| Heavy Atoms | 25 |
| Complexity | 925.132 |
Chemical Identifiers
| CAS Number | 478253-06-4 |
|---|---|
| SMILES | C/C(=C/CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C)/Cl |
Product Overview
8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 478253-06-4), with molecular formula C17H24ClN5O2 and molecular weight 365.16 g/mol. IUPAC: 8-(azepan-1-yl)-7-[(Z)-3-chlorobut-2-enyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Property Insights of 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
The XLogP value of 1.9567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-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 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-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 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The CAS number of 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 478253-06-4.
What is the molecular formula of 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular formula of 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is C17H24ClN5O2.
What is the molecular weight of 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
The molecular weight of 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione is 365.16 g/mol.
Where can I buy 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
You can request a quote for 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-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 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-(1-Azepanyl)-7-(3-CL-2-butenyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.