AB01310129-01
TL;DR: AB01310129-01 (CAS 317840-56-5) is a chemical compound with molecular formula C16H18FN5O3 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: AB01310129-01, 1-(2-fluorobenzyl)-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-(2-fluorobenzyl)-8-((2-hydroxyethyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(2-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethylpurine-2,6-dione, 1-[(2-Fluorophenyl)methyl]-8-[(2-hydroxyethyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C16H18FN5O3 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 0.0253 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.13937 |
| Heavy Atoms | 25 |
| Complexity | 1050.3304 |
Chemical Identifiers
| CAS Number | 317840-56-5 |
|---|---|
| SMILES | CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)CC3=CC=CC=C3F)C |
Product Overview
AB01310129-01 (CAS 317840-56-5), with molecular formula C16H18FN5O3 and molecular weight 347.14 g/mol. IUPAC: 1-[(2-fluorophenyl)methyl]-8-(2-hydroxyethylamino)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of AB01310129-01
Property Insights of AB01310129-01
The XLogP value of 0.0253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB01310129-01. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01310129-01. Following Lipinski's Rule of Five, AB01310129-01 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 AB01310129-01?
The CAS number of AB01310129-01 is 317840-56-5.
What is the molecular formula of AB01310129-01?
The molecular formula of AB01310129-01 is C16H18FN5O3.
What is the molecular weight of AB01310129-01?
The molecular weight of AB01310129-01 is 347.14 g/mol.
Where can I buy AB01310129-01?
You can request a quote for AB01310129-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01310129-01?
Yes, KEHONG BIO provides custom synthesis services for AB01310129-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.