8-环戊基-1,3-二甲基黄嘌呤
TL;DR: 8-环戊基-1,3-二甲基黄嘌呤 (CAS 35873-49-5) is a chemical compound with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-环戊基-1,3-二甲基黄嘌呤
8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8-Cyclopentyl-1,3-dimethylxanthine, 8-cyclopentyltheophylline, 8-Cyclopentyl theophylline, Cyclopentyltheophylline, (s)-homo-beta-valine
| Molecular Formula | C12H16N4O2 |
|---|---|
| Molecular Weight | 248.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.12732 |
| Heavy Atoms | 18 |
| Complexity | 380.0 |
| Solubility | >37.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 35873-49-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CCCC3 |
| InChIKey | SCVHFRLUNIOSGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-环戊基-1,3-二甲基黄嘌呤 (CAS 35873-49-5), with molecular formula C12H16N4O2 and molecular weight 248.13 g/mol. IUPAC: 8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione.
Chemical Property Profile of 8-环戊基-1,3-二甲基黄嘌呤
Property Insights of 8-环戊基-1,3-二甲基黄嘌呤
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-环戊基-1,3-二甲基黄嘌呤. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-环戊基-1,3-二甲基黄嘌呤. Following Lipinski's Rule of Five, 8-环戊基-1,3-二甲基黄嘌呤 has 1 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-环戊基-1,3-二甲基黄嘌呤?
The CAS number of 8-环戊基-1,3-二甲基黄嘌呤 is 35873-49-5.
What is the molecular formula of 8-环戊基-1,3-二甲基黄嘌呤?
The molecular formula of 8-环戊基-1,3-二甲基黄嘌呤 is C12H16N4O2.
What is the molecular weight of 8-环戊基-1,3-二甲基黄嘌呤?
The molecular weight of 8-环戊基-1,3-二甲基黄嘌呤 is 248.13 g/mol.
Where can I buy 8-环戊基-1,3-二甲基黄嘌呤?
You can request a quote for 8-环戊基-1,3-二甲基黄嘌呤 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-环戊基-1,3-二甲基黄嘌呤?
Yes, KEHONG BIO provides custom synthesis services for 8-环戊基-1,3-二甲基黄嘌呤 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.