BAS 02999108
TL;DR: BAS 02999108 (CAS 333752-25-3) is a chemical compound with molecular formula C21H23N5O5 and molecular weight 425.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(furan-2-ylmethylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: BAS 02999108, AB00408486-09, 8-((furan-2-ylmethyl)amino)-7-(2-hydroxy-3-(o-tolyloxy)propyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, F0887-0044, 8-(furan-2-ylmethylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione
| Molecular Formula | C21H23N5O5 |
|---|---|
| Molecular Weight | 425.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.16992 |
| Heavy Atoms | 31 |
| Complexity | 652.0 |
Chemical Identifiers
| CAS Number | 333752-25-3 |
|---|---|
| SMILES | CC1=CC=CC=C1OCC(CN2C3=C(N=C2NCC4=CC=CO4)N(C(=O)NC3=O)C)O |
| InChIKey | FETCBGZRWUBUOL-UHFFFAOYSA-N |
Product Overview
BAS 02999108 (CAS 333752-25-3), with molecular formula C21H23N5O5 and molecular weight 425.17 g/mol. IUPAC: 8-(furan-2-ylmethylamino)-7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 02999108
Property Insights of BAS 02999108
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02999108. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02999108. Following Lipinski's Rule of Five, BAS 02999108 has 3 hydrogen bond donor(s) and 7 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 02999108?
The CAS number of BAS 02999108 is 333752-25-3.
What is the molecular formula of BAS 02999108?
The molecular formula of BAS 02999108 is C21H23N5O5.
What is the molecular weight of BAS 02999108?
The molecular weight of BAS 02999108 is 425.17 g/mol.
Where can I buy BAS 02999108?
You can request a quote for BAS 02999108 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02999108?
Yes, KEHONG BIO provides custom synthesis services for BAS 02999108 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.