AB01312812-01
TL;DR: AB01312812-01 (CAS 57445-10-0) is a chemical compound with molecular formula C16H15BrN4O3 and molecular weight 390.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione
Also Known As: AB01312812-01, A2332/0098396, 8-bromo-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-3,7-dihydro-1H-purine-2,6-dione, 8-bromo-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 8-bromo-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione
| Molecular Formula | C16H15BrN4O3 |
|---|---|
| Molecular Weight | 390.03 g/mol |
| LogP | 1.38752 |
| Topological Polar Surface Area | 78.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.03275 |
| Heavy Atoms | 24 |
| Complexity | 1073.8712 |
Chemical Identifiers
| CAS Number | 57445-10-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CN2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C |
Product Overview
AB01312812-01 (CAS 57445-10-0), with molecular formula C16H15BrN4O3 and molecular weight 390.03 g/mol. IUPAC: 8-bromo-1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione.
Chemical Property Profile of AB01312812-01
Property Insights of AB01312812-01
The XLogP value of 1.38752 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01312812-01. The TPSA of 78.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01312812-01. Following Lipinski's Rule of Five, AB01312812-01 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 AB01312812-01?
The CAS number of AB01312812-01 is 57445-10-0.
What is the molecular formula of AB01312812-01?
The molecular formula of AB01312812-01 is C16H15BrN4O3.
What is the molecular weight of AB01312812-01?
The molecular weight of AB01312812-01 is 390.03 g/mol.
Where can I buy AB01312812-01?
You can request a quote for AB01312812-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01312812-01?
Yes, KEHONG BIO provides custom synthesis services for AB01312812-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.