BAS 05914544
TL;DR: BAS 05914544 (CAS 476480-25-8) is a chemical compound with molecular formula C21H23N5O2 and molecular weight 377.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(propylamino)purine-2,6-dione
Also Known As: BAS 05914544, 1,3-dimethyl-7-(1-naphthylmethyl)-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione, 1,3-Dimethyl-7-(naphthalen-1-ylmethyl)-8-(propylamino)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(propylamino)-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(propylamino)purine-2,6-dione
| Molecular Formula | C21H23N5O2 |
|---|---|
| Molecular Weight | 377.19 g/mol |
| LogP | 2.4571 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.18518 |
| Heavy Atoms | 28 |
| Complexity | 1290.8745 |
Chemical Identifiers
| CAS Number | 476480-25-8 |
|---|---|
| SMILES | CCCNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)N(C(=O)N2C)C |
Product Overview
BAS 05914544 (CAS 476480-25-8), with molecular formula C21H23N5O2 and molecular weight 377.19 g/mol. IUPAC: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(propylamino)purine-2,6-dione.
Chemical Property Profile of BAS 05914544
Property Insights of BAS 05914544
The XLogP value of 2.4571 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05914544. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05914544. Following Lipinski's Rule of Five, BAS 05914544 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 05914544?
The CAS number of BAS 05914544 is 476480-25-8.
What is the molecular formula of BAS 05914544?
The molecular formula of BAS 05914544 is C21H23N5O2.
What is the molecular weight of BAS 05914544?
The molecular weight of BAS 05914544 is 377.19 g/mol.
Where can I buy BAS 05914544?
You can request a quote for BAS 05914544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05914544?
Yes, KEHONG BIO provides custom synthesis services for BAS 05914544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.