AB01305436-01
TL;DR: AB01305436-01 (CAS 369607-22-7) 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-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione
Also Known As: AB01305436-01, 8-[(1,3-benzodioxol-5-ylmethyl)amino]-1-(2-fluorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-(2-fluorobenzyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione, 8-(benzo[1,3]dioxol-5-ylmethylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethyl-purine-2,6-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 | 1469.9358 |
Chemical Identifiers
| CAS Number | 369607-22-7 |
|---|---|
| SMILES | CN1C2=C(N=C1NCC3=CC4=C(C=C3)OCO4)N(C(=O)N(C2=O)CC5=CC=CC=C5F)C |
Product Overview
AB01305436-01 (CAS 369607-22-7), with molecular formula C22H20FN5O4 and molecular weight 437.15 g/mol. IUPAC: 8-(1,3-benzodioxol-5-ylmethylamino)-1-[(2-fluorophenyl)methyl]-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of AB01305436-01
Property Insights of AB01305436-01
The XLogP value of 1.9619 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01305436-01. The TPSA of 92.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01305436-01. Following Lipinski's Rule of Five, AB01305436-01 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 AB01305436-01?
The CAS number of AB01305436-01 is 369607-22-7.
What is the molecular formula of AB01305436-01?
The molecular formula of AB01305436-01 is C22H20FN5O4.
What is the molecular weight of AB01305436-01?
The molecular weight of AB01305436-01 is 437.15 g/mol.
Where can I buy AB01305436-01?
You can request a quote for AB01305436-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305436-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305436-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.