AB01305331-01
TL;DR: AB01305331-01 (CAS 305863-57-4) is a chemical compound with molecular formula C16H17Cl2N5O3 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(2,4-dichlorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione
Also Known As: AB01305331-01, AE-641/10751060, 7-(2,4-dichlorobenzyl)-8-[(2-hydroxyethyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 7-[(2,4-dichlorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione, 7-(2,4-dichlorobenzyl)-8-((2-hydroxyethyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C16H17Cl2N5O3 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 1.193 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.07083 |
| Heavy Atoms | 26 |
| Complexity | 1099.929 |
Chemical Identifiers
| CAS Number | 305863-57-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
AB01305331-01 (CAS 305863-57-4), with molecular formula C16H17Cl2N5O3 and molecular weight 397.07 g/mol. IUPAC: 7-[(2,4-dichlorophenyl)methyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AB01305331-01
Property Insights of AB01305331-01
The XLogP value of 1.193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01305331-01. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01305331-01. Following Lipinski's Rule of Five, AB01305331-01 has 2 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 AB01305331-01?
The CAS number of AB01305331-01 is 305863-57-4.
What is the molecular formula of AB01305331-01?
The molecular formula of AB01305331-01 is C16H17Cl2N5O3.
What is the molecular weight of AB01305331-01?
The molecular weight of AB01305331-01 is 397.07 g/mol.
Where can I buy AB01305331-01?
You can request a quote for AB01305331-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305331-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305331-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.