1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤
TL;DR: 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤 (CAS 149981-25-9) is a chemical compound with molecular formula C16H16N4O5S and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤
4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid
Also Known As: 1-Allyl-3,7-dimethyl-8-sulfophenylxanthine, Lopac-A-145, Lopac0_000087, 1-Allyl-3,7-dimethyl-8-p-sulfophenylxanthine, Tox21_500087
| Molecular Formula | C16H16N4O5S |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.08414 |
| Heavy Atoms | 26 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 149981-25-9 |
|---|---|
| SMILES | CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)O)N(C(=O)N(C2=O)CC=C)C |
| InChIKey | CDMZOKMMANFJMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤 (CAS 149981-25-9), with molecular formula C16H16N4O5S and molecular weight 376.08 g/mol. IUPAC: 4-(3,7-dimethyl-2,6-dioxo-1-prop-2-enylpurin-8-yl)benzenesulfonic acid.
Chemical Property Profile of 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤
Property Insights of 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤. Following Lipinski's Rule of Five, 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤 has 1 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 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤?
The CAS number of 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤 is 149981-25-9.
What is the molecular formula of 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤?
The molecular formula of 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤 is C16H16N4O5S.
What is the molecular weight of 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤?
The molecular weight of 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤 is 376.08 g/mol.
Where can I buy 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤?
You can request a quote for 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 1-烯丙基-3,7-二甲基-8-磺酸苯基黄嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.