BAS 01122540
TL;DR: BAS 01122540 (CAS 313471-55-5) is a chemical compound with molecular formula C18H21ClN6O2 and molecular weight 388.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
Also Known As: BAS 01122540, 7-(4-chlorobenzyl)-3-methyl-8-(4-methylpiperazin-1-yl)-1H-purine-2,6(3H,7H)-dione, AB00137712-02, 7-[(4-chlorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione, F0403-0021
| Molecular Formula | C18H21ClN6O2 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 0.8768 |
| Topological Polar Surface Area | 79.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.14145 |
| Heavy Atoms | 27 |
| Complexity | 1089.9678 |
Chemical Identifiers
| CAS Number | 313471-55-5 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C |
Product Overview
BAS 01122540 (CAS 313471-55-5), with molecular formula C18H21ClN6O2 and molecular weight 388.14 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione.
Chemical Property Profile of BAS 01122540
Property Insights of BAS 01122540
The XLogP value of 0.8768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01122540. The TPSA of 79.16 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01122540. Following Lipinski's Rule of Five, BAS 01122540 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 01122540?
The CAS number of BAS 01122540 is 313471-55-5.
What is the molecular formula of BAS 01122540?
The molecular formula of BAS 01122540 is C18H21ClN6O2.
What is the molecular weight of BAS 01122540?
The molecular weight of BAS 01122540 is 388.14 g/mol.
Where can I buy BAS 01122540?
You can request a quote for BAS 01122540 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01122540?
Yes, KEHONG BIO provides custom synthesis services for BAS 01122540 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.