ChemDiv2_003760
TL;DR: ChemDiv2_003760 (CAS 327098-41-9) is a chemical compound with molecular formula C16H18FN5O3 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: ChemDiv2_003760, BAS 02999158, IDI1_002475, AB00138771-02, 7-(4-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H18FN5O3 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 0.0253 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.13937 |
| Heavy Atoms | 25 |
| Complexity | 1033.0804 |
Chemical Identifiers
| CAS Number | 327098-41-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=CC=C(C=C3)F |
Product Overview
ChemDiv2_003760 (CAS 327098-41-9), with molecular formula C16H18FN5O3 and molecular weight 347.14 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of ChemDiv2_003760
Property Insights of ChemDiv2_003760
The XLogP value of 0.0253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_003760. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_003760. Following Lipinski's Rule of Five, ChemDiv2_003760 has 2 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 ChemDiv2_003760?
The CAS number of ChemDiv2_003760 is 327098-41-9.
What is the molecular formula of ChemDiv2_003760?
The molecular formula of ChemDiv2_003760 is C16H18FN5O3.
What is the molecular weight of ChemDiv2_003760?
The molecular weight of ChemDiv2_003760 is 347.14 g/mol.
Where can I buy ChemDiv2_003760?
You can request a quote for ChemDiv2_003760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_003760?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_003760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.