Mdl 102234
TL;DR: Mdl 102234 (CAS 137766-81-5) is a chemical compound with molecular formula C20H26N4O2 and molecular weight 354.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(1R)-1-phenylpropyl]-1,3-dipropyl-7H-purine-2,6-dione
Also Known As: Mdl 102234, Mdl 102,234, MDL-102,234, Cyclopentanone,3-(3-butenyl)-2,3-dimethyl, 3,7-Dihydro-8-(1-phenylpropyl)-1,3-dipropyl-1H-purine-2,6-dione
| Molecular Formula | C20H26N4O2 |
|---|---|
| Molecular Weight | 354.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.20557 |
| Heavy Atoms | 26 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 137766-81-5 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)[C@H](CC)C3=CC=CC=C3 |
| InChIKey | ZFUJDWYGRZXMJC-OAHLLOKOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mdl 102234 (CAS 137766-81-5), with molecular formula C20H26N4O2 and molecular weight 354.21 g/mol. IUPAC: 8-[(1R)-1-phenylpropyl]-1,3-dipropyl-7H-purine-2,6-dione.
Chemical Property Profile of Mdl 102234
Property Insights of Mdl 102234
The XLogP value of 5.0 indicates that Mdl 102234 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Mdl 102234. Following Lipinski's Rule of Five, Mdl 102234 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 Mdl 102234?
The CAS number of Mdl 102234 is 137766-81-5.
What is the molecular formula of Mdl 102234?
The molecular formula of Mdl 102234 is C20H26N4O2.
What is the molecular weight of Mdl 102234?
The molecular weight of Mdl 102234 is 354.21 g/mol.
Where can I buy Mdl 102234?
You can request a quote for Mdl 102234 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mdl 102234?
Yes, KEHONG BIO provides custom synthesis services for Mdl 102234 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.