AB01305406-01
TL;DR: AB01305406-01 (CAS 327097-53-0) is a chemical compound with molecular formula C17H17BrN4O3 and molecular weight 404.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-prop-2-enoxypurine-2,6-dione
Also Known As: AB01305406-01, 7-(3-bromobenzyl)-1,3-dimethyl-8-(prop-2-en-1-yloxy)-3,7-dihydro-1H-purine-2,6-dione, 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-prop-2-enoxypurine-2,6-dione, 8-(allyloxy)-7-(3-bromobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C17H17BrN4O3 |
|---|---|
| Molecular Weight | 404.05 g/mol |
| LogP | 1.8093 |
| Topological Polar Surface Area | 71.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.0484 |
| Heavy Atoms | 25 |
| Complexity | 1077.9121 |
Chemical Identifiers
| CAS Number | 327097-53-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC=C)CC3=CC(=CC=C3)Br |
Product Overview
AB01305406-01 (CAS 327097-53-0), with molecular formula C17H17BrN4O3 and molecular weight 404.05 g/mol. IUPAC: 7-[(3-bromophenyl)methyl]-1,3-dimethyl-8-prop-2-enoxypurine-2,6-dione.
Chemical Property Profile of AB01305406-01
Property Insights of AB01305406-01
The XLogP value of 1.8093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01305406-01. The TPSA of 71.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01305406-01. Following Lipinski's Rule of Five, AB01305406-01 has 0 hydrogen bond donor(s) and 4 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 AB01305406-01?
The CAS number of AB01305406-01 is 327097-53-0.
What is the molecular formula of AB01305406-01?
The molecular formula of AB01305406-01 is C17H17BrN4O3.
What is the molecular weight of AB01305406-01?
The molecular weight of AB01305406-01 is 404.05 g/mol.
Where can I buy AB01305406-01?
You can request a quote for AB01305406-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305406-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305406-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.