AN-512/12595080
TL;DR: AN-512/12595080 (CAS 300586-27-0) is a chemical compound with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-hydroxypropylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
Also Known As: AN-512/12595080, 8-[(2-hydroxypropyl)amino]-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione, 8-(2-hydroxypropylamino)-1,3-dimethyl-7-phenethylpurine-2,6-dione, 8-((2-hydroxypropyl)amino)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C18H23N5O3 |
|---|---|
| Molecular Weight | 357.18 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.18008 |
| Heavy Atoms | 26 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 300586-27-0 |
|---|---|
| SMILES | CC(CNC1=NC2=C(N1CCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C)O |
| InChIKey | DLQUTUMIIMXHJV-UHFFFAOYSA-N |
Product Overview
AN-512/12595080 (CAS 300586-27-0), with molecular formula C18H23N5O3 and molecular weight 357.18 g/mol. IUPAC: 8-(2-hydroxypropylamino)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione.
Chemical Property Profile of AN-512/12595080
Property Insights of AN-512/12595080
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-512/12595080. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/12595080. Following Lipinski's Rule of Five, AN-512/12595080 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 AN-512/12595080?
The CAS number of AN-512/12595080 is 300586-27-0.
What is the molecular formula of AN-512/12595080?
The molecular formula of AN-512/12595080 is C18H23N5O3.
What is the molecular weight of AN-512/12595080?
The molecular weight of AN-512/12595080 is 357.18 g/mol.
Where can I buy AN-512/12595080?
You can request a quote for AN-512/12595080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12595080?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12595080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.