AB01298619-01
TL;DR: AB01298619-01 (CAS 476480-43-0) is a chemical compound with molecular formula C25H29N5O2S and molecular weight 463.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione
Also Known As: AB01298619-01, 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione, 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-[2-(1-piperidyl)ethylsulfanyl]purine-2,6-dione, 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-((2-(piperidin-1-yl)ethyl)thio)-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C25H29N5O2S |
|---|---|
| Molecular Weight | 463.20 g/mol |
| LogP | 3.2132 |
| Topological Polar Surface Area | 65.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.2042 |
| Heavy Atoms | 33 |
| Complexity | 1423.5184 |
Chemical Identifiers
| CAS Number | 476480-43-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCCN3CCCCC3)CC4=CC=CC5=CC=CC=C54 |
Product Overview
AB01298619-01 (CAS 476480-43-0), with molecular formula C25H29N5O2S and molecular weight 463.20 g/mol. IUPAC: 1,3-dimethyl-7-(naphthalen-1-ylmethyl)-8-(2-piperidin-1-ylethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of AB01298619-01
Property Insights of AB01298619-01
The XLogP value of 3.2132 indicates that AB01298619-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.06 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01298619-01. Following Lipinski's Rule of Five, AB01298619-01 has 0 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 AB01298619-01?
The CAS number of AB01298619-01 is 476480-43-0.
What is the molecular formula of AB01298619-01?
The molecular formula of AB01298619-01 is C25H29N5O2S.
What is the molecular weight of AB01298619-01?
The molecular weight of AB01298619-01 is 463.20 g/mol.
Where can I buy AB01298619-01?
You can request a quote for AB01298619-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01298619-01?
Yes, KEHONG BIO provides custom synthesis services for AB01298619-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.