AB01303929-01
TL;DR: AB01303929-01 (CAS 497231-31-9) is a chemical compound with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-(2-methylprop-2-enyl)-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione
Also Known As: AB01303929-01, AB01303929-03, 3-methyl-7-(2-methylprop-2-en-1-yl)-8-[(naphthalen-2-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-7-(2-methylallyl)-8-((naphthalen-2-ylmethyl)thio)-1H-purine-2,6(3H,7H)-dione, 3-methyl-7-(2-methylprop-2-enyl)-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione
| Molecular Formula | C21H20N4O2S |
|---|---|
| Molecular Weight | 392.13 g/mol |
| LogP | 3.4449 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1307 |
| Heavy Atoms | 28 |
| Complexity | 1329.9847 |
Chemical Identifiers
| CAS Number | 497231-31-9 |
|---|---|
| SMILES | CC(=C)CN1C2=C(N=C1SCC3=CC4=CC=CC=C4C=C3)N(C(=O)NC2=O)C |
Product Overview
AB01303929-01 (CAS 497231-31-9), with molecular formula C21H20N4O2S and molecular weight 392.13 g/mol. IUPAC: 3-methyl-7-(2-methylprop-2-enyl)-8-(naphthalen-2-ylmethylsulfanyl)purine-2,6-dione.
Chemical Property Profile of AB01303929-01
Property Insights of AB01303929-01
The XLogP value of 3.4449 indicates that AB01303929-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01303929-01. Following Lipinski's Rule of Five, AB01303929-01 has 1 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 AB01303929-01?
The CAS number of AB01303929-01 is 497231-31-9.
What is the molecular formula of AB01303929-01?
The molecular formula of AB01303929-01 is C21H20N4O2S.
What is the molecular weight of AB01303929-01?
The molecular weight of AB01303929-01 is 392.13 g/mol.
Where can I buy AB01303929-01?
You can request a quote for AB01303929-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01303929-01?
Yes, KEHONG BIO provides custom synthesis services for AB01303929-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.