AB01301922-01
TL;DR: AB01301922-01 (CAS 887864-56-4) is a chemical compound with molecular formula C14H15BrN6O2S and molecular weight 410.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione
Also Known As: AB01301922-01, 8-bromo-3-methyl-7-(2-methyl-3-(pyrimidin-2-ylthio)propyl)-1H-purine-2,6(3H,7H)-dione, F2582-0097, 8-bromo-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione, 8-bromo-3-methyl-7-[2-methyl-3-(pyrimidin-2-ylsulfanyl)propyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H15BrN6O2S |
|---|---|
| Molecular Weight | 410.02 g/mol |
| LogP | 1.4042 |
| Topological Polar Surface Area | 98.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.01605 |
| Heavy Atoms | 24 |
| Complexity | 980.57874 |
Chemical Identifiers
| CAS Number | 887864-56-4 |
|---|---|
| SMILES | CC(CN1C2=C(N=C1Br)N(C(=O)NC2=O)C)CSC3=NC=CC=N3 |
Product Overview
AB01301922-01 (CAS 887864-56-4), with molecular formula C14H15BrN6O2S and molecular weight 410.02 g/mol. IUPAC: 8-bromo-3-methyl-7-(2-methyl-3-pyrimidin-2-ylsulfanylpropyl)purine-2,6-dione.
Chemical Property Profile of AB01301922-01
Property Insights of AB01301922-01
The XLogP value of 1.4042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01301922-01. The TPSA of 98.46 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01301922-01. Following Lipinski's Rule of Five, AB01301922-01 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 AB01301922-01?
The CAS number of AB01301922-01 is 887864-56-4.
What is the molecular formula of AB01301922-01?
The molecular formula of AB01301922-01 is C14H15BrN6O2S.
What is the molecular weight of AB01301922-01?
The molecular weight of AB01301922-01 is 410.02 g/mol.
Where can I buy AB01301922-01?
You can request a quote for AB01301922-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01301922-01?
Yes, KEHONG BIO provides custom synthesis services for AB01301922-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.