BAS 00387052
TL;DR: BAS 00387052 (CAS 329700-58-5) is a chemical compound with molecular formula C16H12BrN5O4 and molecular weight 417.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-7-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methylpurine-2,6-dione
Also Known As: BAS 00387052, 8-bromo-7-(2-(1,3-dioxoisoindolin-2-yl)ethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-bromo-7-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methylpurine-2,6-dione, F0373-0471, 8-bromo-7-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C16H12BrN5O4 |
|---|---|
| Molecular Weight | 417.01 g/mol |
| LogP | 0.482 |
| Topological Polar Surface Area | 110.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.00726 |
| Heavy Atoms | 26 |
| Complexity | 1170.551 |
Chemical Identifiers
| CAS Number | 329700-58-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
BAS 00387052 (CAS 329700-58-5), with molecular formula C16H12BrN5O4 and molecular weight 417.01 g/mol. IUPAC: 8-bromo-7-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 00387052
Property Insights of BAS 00387052
The XLogP value of 0.482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00387052. The TPSA of 110.06 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00387052. Following Lipinski's Rule of Five, BAS 00387052 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 BAS 00387052?
The CAS number of BAS 00387052 is 329700-58-5.
What is the molecular formula of BAS 00387052?
The molecular formula of BAS 00387052 is C16H12BrN5O4.
What is the molecular weight of BAS 00387052?
The molecular weight of BAS 00387052 is 417.01 g/mol.
Where can I buy BAS 00387052?
You can request a quote for BAS 00387052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00387052?
Yes, KEHONG BIO provides custom synthesis services for BAS 00387052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.