Pde IV-IN-1
TL;DR: Pde IV-IN-1 (CAS 225100-12-9) is a chemical compound with molecular formula C20H23ClN4O2 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethylpurine
Also Known As: PDE IV-IN-1, HY-U00352, 2-Chloro-9-(3-(cyclopentyloxy)-4-methoxybenzyl)-6,8-dimethyl-9H-purine, 2-chloro-9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-6,8-dimethyl-purine, 2-chloro-9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethylpurine
| Molecular Formula | C20H23ClN4O2 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 4.47484 |
| Topological Polar Surface Area | 62.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.15094 |
| Heavy Atoms | 27 |
| Complexity | 979.76245 |
Chemical Identifiers
| CAS Number | 225100-12-9 |
|---|---|
| SMILES | CC1=C2C(=NC(=N1)Cl)N(C(=N2)C)CC3=CC(=C(C=C3)OC)OC4CCCC4 |
Product Overview
Pde IV-IN-1 (CAS 225100-12-9), with molecular formula C20H23ClN4O2 and molecular weight 386.15 g/mol. IUPAC: 2-chloro-9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-6,8-dimethylpurine.
Chemical Property Profile of Pde IV-IN-1
Property Insights of Pde IV-IN-1
The XLogP value of 4.47484 indicates that Pde IV-IN-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Pde IV-IN-1. Following Lipinski's Rule of Five, Pde IV-IN-1 has 0 hydrogen bond donor(s) and 5 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 Pde IV-IN-1?
The CAS number of Pde IV-IN-1 is 225100-12-9.
What is the molecular formula of Pde IV-IN-1?
The molecular formula of Pde IV-IN-1 is C20H23ClN4O2.
What is the molecular weight of Pde IV-IN-1?
The molecular weight of Pde IV-IN-1 is 386.15 g/mol.
Where can I buy Pde IV-IN-1?
You can request a quote for Pde IV-IN-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pde IV-IN-1?
Yes, KEHONG BIO provides custom synthesis services for Pde IV-IN-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.