BAS 02999174
TL;DR: BAS 02999174 (CAS 333755-26-3) is a chemical compound with molecular formula C16H19FN6O2 and molecular weight 346.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-aminoethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 02999174, 8-((2-Aminoethyl)amino)-7-(4-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-[(2-aminoethyl)amino]-7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-(2-Amino-ethylamino)-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione, 8-(2-aminoethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C16H19FN6O2 |
|---|---|
| Molecular Weight | 346.16 g/mol |
| LogP | -0.0083 |
| Topological Polar Surface Area | 99.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.15536 |
| Heavy Atoms | 25 |
| Complexity | 1031.9352 |
Chemical Identifiers
| CAS Number | 333755-26-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCN)CC3=CC=C(C=C3)F |
Product Overview
BAS 02999174 (CAS 333755-26-3), with molecular formula C16H19FN6O2 and molecular weight 346.16 g/mol. IUPAC: 8-(2-aminoethylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 02999174
Property Insights of BAS 02999174
The XLogP value of -0.0083 indicates that BAS 02999174 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.87 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02999174. Following Lipinski's Rule of Five, BAS 02999174 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 BAS 02999174?
The CAS number of BAS 02999174 is 333755-26-3.
What is the molecular formula of BAS 02999174?
The molecular formula of BAS 02999174 is C16H19FN6O2.
What is the molecular weight of BAS 02999174?
The molecular weight of BAS 02999174 is 346.16 g/mol.
Where can I buy BAS 02999174?
You can request a quote for BAS 02999174 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02999174?
Yes, KEHONG BIO provides custom synthesis services for BAS 02999174 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.