BAS 01541680
TL;DR: BAS 01541680 (CAS 332905-05-2) is a chemical compound with molecular formula C18H20ClN5O2 and molecular weight 373.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-3-methylpurine-2,6-dione
Also Known As: BAS 01541680, 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-3-methylpurine-2,6-dione, 8-(Benzyl(methyl)amino)-7-(3-chlorobut-2-en-1-yl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-[benzyl(methyl)amino]-7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C18H20ClN5O2 |
|---|---|
| Molecular Weight | 373.13 g/mol |
| LogP | 2.2023 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.13055 |
| Heavy Atoms | 26 |
| Complexity | 1074.6399 |
Chemical Identifiers
| CAS Number | 332905-05-2 |
|---|---|
| SMILES | CC(=CCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C)Cl |
Product Overview
BAS 01541680 (CAS 332905-05-2), with molecular formula C18H20ClN5O2 and molecular weight 373.13 g/mol. IUPAC: 8-[benzyl(methyl)amino]-7-(3-chlorobut-2-enyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 01541680
Property Insights of BAS 01541680
The XLogP value of 2.2023 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01541680. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01541680. Following Lipinski's Rule of Five, BAS 01541680 has 1 hydrogen bond donor(s) and 4 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 01541680?
The CAS number of BAS 01541680 is 332905-05-2.
What is the molecular formula of BAS 01541680?
The molecular formula of BAS 01541680 is C18H20ClN5O2.
What is the molecular weight of BAS 01541680?
The molecular weight of BAS 01541680 is 373.13 g/mol.
Where can I buy BAS 01541680?
You can request a quote for BAS 01541680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01541680?
Yes, KEHONG BIO provides custom synthesis services for BAS 01541680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.