AB01303455-01
TL;DR: AB01303455-01 (CAS 847846-20-2) is a chemical compound with molecular formula C20H18FN5O2S and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-aminophenyl)sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AB01303455-01, 8-((2-aminophenyl)thio)-7-(4-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(2-aminophenyl)sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-[(2-aminophenyl)sulfanyl]-7-(4-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(2-AMINOPHENYL)SULFANYL]-7-[(4-FLUOROPHENYL)METHYL]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C20H18FN5O2S |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 2.3545 |
| Topological Polar Surface Area | 87.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.11652 |
| Heavy Atoms | 29 |
| Complexity | 1338.2284 |
Chemical Identifiers
| CAS Number | 847846-20-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SC3=CC=CC=C3N)CC4=CC=C(C=C4)F |
Product Overview
AB01303455-01 (CAS 847846-20-2), with molecular formula C20H18FN5O2S and molecular weight 411.12 g/mol. IUPAC: 8-(2-aminophenyl)sulfanyl-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB01303455-01
Property Insights of AB01303455-01
The XLogP value of 2.3545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01303455-01. The TPSA of 87.84 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01303455-01. Following Lipinski's Rule of Five, AB01303455-01 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 AB01303455-01?
The CAS number of AB01303455-01 is 847846-20-2.
What is the molecular formula of AB01303455-01?
The molecular formula of AB01303455-01 is C20H18FN5O2S.
What is the molecular weight of AB01303455-01?
The molecular weight of AB01303455-01 is 411.12 g/mol.
Where can I buy AB01303455-01?
You can request a quote for AB01303455-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01303455-01?
Yes, KEHONG BIO provides custom synthesis services for AB01303455-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.