BAS 00387042
TL;DR: BAS 00387042 (CAS 329703-08-4) is a chemical compound with molecular formula C22H18BrN7O3 and molecular weight 507.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 00387042, 7-benzyl-8-[2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-Benzyl-8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1,3-dimethylpurine-2,6-dione, (E)-7-benzyl-8-(2-(5-bromo-2-oxoindolin-3-ylidene)hydrazinyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 7-benzyl-8-[2-(5-bromo-2-oxoindol-3-yl)hydrazinyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C22H18BrN7O3 |
|---|---|
| Molecular Weight | 507.07 g/mol |
| LogP | 3.8468 |
| Topological Polar Surface Area | 122.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 507.06546 |
| Heavy Atoms | 33 |
| Complexity | 1676.2698 |
Chemical Identifiers
| CAS Number | 329703-08-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N=NC3=C(NC4=C3C=C(C=C4)Br)O)CC5=CC=CC=C5 |
Product Overview
BAS 00387042 (CAS 329703-08-4), with molecular formula C22H18BrN7O3 and molecular weight 507.07 g/mol. IUPAC: 7-benzyl-8-[(5-bromo-2-hydroxy-1H-indol-3-yl)diazenyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 00387042
Property Insights of BAS 00387042
The XLogP value of 3.8468 indicates that BAS 00387042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.56 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00387042. Following Lipinski's Rule of Five, BAS 00387042 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00387042?
The CAS number of BAS 00387042 is 329703-08-4.
What is the molecular formula of BAS 00387042?
The molecular formula of BAS 00387042 is C22H18BrN7O3.
What is the molecular weight of BAS 00387042?
The molecular weight of BAS 00387042 is 507.07 g/mol.
Where can I buy BAS 00387042?
You can request a quote for BAS 00387042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00387042?
Yes, KEHONG BIO provides custom synthesis services for BAS 00387042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.