![4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol structure](/static/products/802/802296-78-2.png)
4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol
TL;DR: 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol (CAS 802296-78-2) is a chemical compound with molecular formula C16H18ClN5O and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-chloropurin-9-yl)-2-(diethylaminomethyl)phenol
Also Known As: 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol, 4-(6-chloropurin-9-yl)-2-(diethylaminomethyl)phenol
| Molecular Formula | C16H18ClN5O |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.12 |
| Heavy Atoms | 23 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 802296-78-2 |
|---|---|
| SMILES | CCN(CC)CC1=C(C=CC(=C1)N2C=NC3=C2N=CN=C3Cl)O |
| InChIKey | SSSZZKGFLIDGCN-UHFFFAOYSA-N |
Product Overview
4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol (CAS 802296-78-2), with molecular formula C16H18ClN5O and molecular weight 331.12 g/mol. IUPAC: 4-(6-chloropurin-9-yl)-2-(diethylaminomethyl)phenol.
Chemical Property Profile of 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol
Property Insights of 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol. The TPSA of 67.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol. Following Lipinski's Rule of Five, 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol has 1 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 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol?
The CAS number of 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol is 802296-78-2.
What is the molecular formula of 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol?
The molecular formula of 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol is C16H18ClN5O.
What is the molecular weight of 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol?
The molecular weight of 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol is 331.12 g/mol.
Where can I buy 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol?
You can request a quote for 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-chloro-9H-purin-9-yl)-2-[(diethylamino)methyl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.