![8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮 structure](/static/products/1485/148589-13-3.webp)
8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮
TL;DR: 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮 (CAS 148589-13-3) is a chemical compound with molecular formula C16H15ClN4O2 and molecular weight 330.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮
8-[2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
Also Known As: Csc cpd, 8-(3-Chlorostyryl)caffeine, 8-CSC, (E)-8-(3-chlorostyryl)caffeine, 1,3,7-Trimethyl-8-(3-chlorostyryl)xanthine
| Molecular Formula | C16H15ClN4O2 |
|---|---|
| Molecular Weight | 330.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.08835 |
| Heavy Atoms | 23 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 148589-13-3 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC(=CC=C3)Cl |
| InChIKey | WBWFIUAVMCNYPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮 (CAS 148589-13-3), with molecular formula C16H15ClN4O2 and molecular weight 330.09 g/mol. IUPAC: 8-[2-(3-chlorophenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮
Property Insights of 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮. With a topological polar surface area (TPSA) of 58.4 Ų, 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮 has 0 hydrogen bond donor(s) and 3 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-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮?
The CAS number of 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮 is 148589-13-3.
What is the molecular formula of 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮?
The molecular formula of 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮 is C16H15ClN4O2.
What is the molecular weight of 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮?
The molecular weight of 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮 is 330.09 g/mol.
Where can I buy 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮?
You can request a quote for 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮?
Yes, KEHONG BIO provides custom synthesis services for 8-[2-(3-氯苯基)乙烯基]-1,3,7-三甲基-3,7-二氢-1H-嘌呤-2,6-二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.