BAS 00363917
TL;DR: BAS 00363917 (CAS 301355-13-5) is a chemical compound with molecular formula C16H17BrN4O5 and molecular weight 424.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00363917, AB00405446-06, AB00405446-11, 8-bromo-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, F0373-0312
| Molecular Formula | C16H17BrN4O5 |
|---|---|
| Molecular Weight | 424.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.03824 |
| Heavy Atoms | 26 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 301355-13-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC(COC3=CC=C(C=C3)OC)O |
| InChIKey | PORNAGAEUFLJES-UHFFFAOYSA-N |
Product Overview
BAS 00363917 (CAS 301355-13-5), with molecular formula C16H17BrN4O5 and molecular weight 424.04 g/mol. IUPAC: 8-bromo-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00363917
Property Insights of BAS 00363917
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00363917. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00363917. Following Lipinski's Rule of Five, BAS 00363917 has 2 hydrogen bond donor(s) and 6 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 00363917?
The CAS number of BAS 00363917 is 301355-13-5.
What is the molecular formula of BAS 00363917?
The molecular formula of BAS 00363917 is C16H17BrN4O5.
What is the molecular weight of BAS 00363917?
The molecular weight of BAS 00363917 is 424.04 g/mol.
Where can I buy BAS 00363917?
You can request a quote for BAS 00363917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00363917?
Yes, KEHONG BIO provides custom synthesis services for BAS 00363917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.