AN-512/12593015
TL;DR: AN-512/12593015 (CAS 305863-03-0) is a chemical compound with molecular formula C22H20FN5O4 and molecular weight 437.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(1,3-benzodioxol-5-ylmethylamino)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: AN-512/12593015, 8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 8-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-7-(2-fluorobenzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-(1,3-benzodioxol-5-ylmethylamino)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione, 8-{[(2H-1,3-BENZODIOXOL-5-YL)METHYL]AMINO}-7-[(2-FLUOROPHENYL)METHYL]-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C22H20FN5O4 |
|---|---|
| Molecular Weight | 437.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.14993 |
| Heavy Atoms | 32 |
| Complexity | 728.0 |
Chemical Identifiers
| CAS Number | 305863-03-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5F |
| InChIKey | GIBLGVWWFIPENH-UHFFFAOYSA-N |
Product Overview
AN-512/12593015 (CAS 305863-03-0), with molecular formula C22H20FN5O4 and molecular weight 437.15 g/mol. IUPAC: 8-(1,3-benzodioxol-5-ylmethylamino)-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of AN-512/12593015
Property Insights of AN-512/12593015
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-512/12593015. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/12593015. Following Lipinski's Rule of Five, AN-512/12593015 has 1 hydrogen bond donor(s) and 7 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-512/12593015?
The CAS number of AN-512/12593015 is 305863-03-0.
What is the molecular formula of AN-512/12593015?
The molecular formula of AN-512/12593015 is C22H20FN5O4.
What is the molecular weight of AN-512/12593015?
The molecular weight of AN-512/12593015 is 437.15 g/mol.
Where can I buy AN-512/12593015?
You can request a quote for AN-512/12593015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/12593015?
Yes, KEHONG BIO provides custom synthesis services for AN-512/12593015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.