BAS 05022127
TL;DR: BAS 05022127 (CAS 304879-74-1) is a chemical compound with molecular formula C22H20FN5O4 and molecular weight 437.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzodioxol-5-ylmethylamino)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: BAS 05022127, AB01299344-01, AN-512/13262094, 8-[(1,3-benzodioxol-5-ylmethyl)amino]-1-(4-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(4-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C22H20FN5O4 |
|---|---|
| Molecular Weight | 437.15 g/mol |
| LogP | 1.9619 |
| Topological Polar Surface Area | 92.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.14993 |
| Heavy Atoms | 32 |
| Complexity | 1452.6858 |
Chemical Identifiers
| CAS Number | 304879-74-1 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=C(C=C5)F)C |
Product Overview
BAS 05022127 (CAS 304879-74-1), with molecular formula C22H20FN5O4 and molecular weight 437.15 g/mol. IUPAC: 8-(1,3-benzodioxol-5-ylmethylamino)-1-[(4-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of BAS 05022127
Property Insights of BAS 05022127
The XLogP value of 1.9619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05022127. The TPSA of 92.31 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05022127. Following Lipinski's Rule of Five, BAS 05022127 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 05022127?
The CAS number of BAS 05022127 is 304879-74-1.
What is the molecular formula of BAS 05022127?
The molecular formula of BAS 05022127 is C22H20FN5O4.
What is the molecular weight of BAS 05022127?
The molecular weight of BAS 05022127 is 437.15 g/mol.
Where can I buy BAS 05022127?
You can request a quote for BAS 05022127 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05022127?
Yes, KEHONG BIO provides custom synthesis services for BAS 05022127 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.