AB00105449-01
TL;DR: AB00105449-01 (CAS 425653-25-4) is a chemical compound with molecular formula C17H16BrN7O2S and molecular weight 461.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
Also Known As: AB00105449-01, AB00105449-03, AN-648/15101112, 7-(4-bromobenzyl)-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione
| Molecular Formula | C17H16BrN7O2S |
|---|---|
| Molecular Weight | 461.03 g/mol |
| LogP | 1.5242 |
| Topological Polar Surface Area | 92.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.02695 |
| Heavy Atoms | 28 |
| Complexity | 1300.2726 |
Chemical Identifiers
| CAS Number | 425653-25-4 |
|---|---|
| SMILES | CN1C=NN=C1SC2=NC3=C(N2CC4=CC=C(C=C4)Br)C(=O)N(C(=O)N3C)C |
Product Overview
AB00105449-01 (CAS 425653-25-4), with molecular formula C17H16BrN7O2S and molecular weight 461.03 g/mol. IUPAC: 7-[(4-bromophenyl)methyl]-1,3-dimethyl-8-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]purine-2,6-dione.
Chemical Property Profile of AB00105449-01
Property Insights of AB00105449-01
The XLogP value of 1.5242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00105449-01. The TPSA of 92.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00105449-01. Following Lipinski's Rule of Five, AB00105449-01 has 0 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 AB00105449-01?
The CAS number of AB00105449-01 is 425653-25-4.
What is the molecular formula of AB00105449-01?
The molecular formula of AB00105449-01 is C17H16BrN7O2S.
What is the molecular weight of AB00105449-01?
The molecular weight of AB00105449-01 is 461.03 g/mol.
Where can I buy AB00105449-01?
You can request a quote for AB00105449-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00105449-01?
Yes, KEHONG BIO provides custom synthesis services for AB00105449-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.