BAS 07401431
TL;DR: BAS 07401431 (CAS 587011-31-2) is a chemical compound with molecular formula C21H27ClN6O3 and molecular weight 446.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 07401431, UPCMLD0ENAT5840708:001, F0634-0206, 7-(4-chlorobenzyl)-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(4-chlorophenyl)methyl]-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C21H27ClN6O3 |
|---|---|
| Molecular Weight | 446.18 g/mol |
| LogP | 0.2453 |
| Topological Polar Surface Area | 88.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 446.18332 |
| Heavy Atoms | 31 |
| Complexity | 1189.021 |
Chemical Identifiers
| CAS Number | 587011-31-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CCO)CC4=CC=C(C=C4)Cl |
Product Overview
BAS 07401431 (CAS 587011-31-2), with molecular formula C21H27ClN6O3 and molecular weight 446.18 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 07401431
Property Insights of BAS 07401431
The XLogP value of 0.2453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 07401431. The TPSA of 88.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 07401431. Following Lipinski's Rule of Five, BAS 07401431 has 1 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 07401431?
The CAS number of BAS 07401431 is 587011-31-2.
What is the molecular formula of BAS 07401431?
The molecular formula of BAS 07401431 is C21H27ClN6O3.
What is the molecular weight of BAS 07401431?
The molecular weight of BAS 07401431 is 446.18 g/mol.
Where can I buy BAS 07401431?
You can request a quote for BAS 07401431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07401431?
Yes, KEHONG BIO provides custom synthesis services for BAS 07401431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.