BAS 12401125
TL;DR: BAS 12401125 (CAS 876891-15-5) is a chemical compound with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione
Also Known As: BAS 12401125, 8-(azepan-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione, 8-(azepan-1-yl)-7-(4-methoxyphenethyl)-3-methyl-1H-purine-2,6(3H,7H)-dione, 8-(azepan-1-yl)-6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | 2.055 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 1102.2775 |
Chemical Identifiers
| CAS Number | 876891-15-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCCC3)CCC4=CC=C(C=C4)OC |
Product Overview
BAS 12401125 (CAS 876891-15-5), with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol. IUPAC: 8-(azepan-1-yl)-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of BAS 12401125
Property Insights of BAS 12401125
The XLogP value of 2.055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12401125. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12401125. Following Lipinski's Rule of Five, BAS 12401125 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 12401125?
The CAS number of BAS 12401125 is 876891-15-5.
What is the molecular formula of BAS 12401125?
The molecular formula of BAS 12401125 is C21H27N5O3.
What is the molecular weight of BAS 12401125?
The molecular weight of BAS 12401125 is 397.21 g/mol.
Where can I buy BAS 12401125?
You can request a quote for BAS 12401125 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12401125?
Yes, KEHONG BIO provides custom synthesis services for BAS 12401125 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.