AN-512/13263031
TL;DR: AN-512/13263031 (CAS 305867-85-0) is a chemical compound with molecular formula C17H20FN5O3 and molecular weight 361.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-fluorophenyl)methyl]-8-(3-hydroxypropylamino)-3,7-dimethylpurine-2,6-dione
Also Known As: AN-512/13263031, 1-(4-fluorobenzyl)-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, 1-(4-fluorobenzyl)-8-((3-hydroxypropyl)amino)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione, 1-[(4-fluorophenyl)methyl]-8-(3-hydroxypropylamino)-3,7-dimethylpurine-2,6-dione
| Molecular Formula | C17H20FN5O3 |
|---|---|
| Molecular Weight | 361.16 g/mol |
| LogP | 0.4154 |
| Topological Polar Surface Area | 94.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.15503 |
| Heavy Atoms | 26 |
| Complexity | 1049.4211 |
Chemical Identifiers
| CAS Number | 305867-85-0 |
|---|---|
| SMILES | CN1C2=C(N=C1NCCCO)N(C(=O)N(C2=O)CC3=CC=C(C=C3)F)C |
Product Overview
AN-512/13263031 (CAS 305867-85-0), with molecular formula C17H20FN5O3 and molecular weight 361.16 g/mol. IUPAC: 1-[(4-fluorophenyl)methyl]-8-(3-hydroxypropylamino)-3,7-dimethylpurine-2,6-dione.
Chemical Property Profile of AN-512/13263031
Property Insights of AN-512/13263031
The XLogP value of 0.4154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-512/13263031. The TPSA of 94.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-512/13263031. Following Lipinski's Rule of Five, AN-512/13263031 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-512/13263031?
The CAS number of AN-512/13263031 is 305867-85-0.
What is the molecular formula of AN-512/13263031?
The molecular formula of AN-512/13263031 is C17H20FN5O3.
What is the molecular weight of AN-512/13263031?
The molecular weight of AN-512/13263031 is 361.16 g/mol.
Where can I buy AN-512/13263031?
You can request a quote for AN-512/13263031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-512/13263031?
Yes, KEHONG BIO provides custom synthesis services for AN-512/13263031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.