8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
TL;DR: 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 333752-50-4) is a chemical compound with molecular formula C18H22FN5O2 and molecular weight 359.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(butan-2-ylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: BAS 02999157, AB00397122-06, AB00397122-11, F0887-0093, 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
| Molecular Formula | C18H22FN5O2 |
|---|---|
| Molecular Weight | 359.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.17575 |
| Heavy Atoms | 26 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 333752-50-4 |
|---|---|
| SMILES | CCC(C)NC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)N(C(=O)N2C)C |
| InChIKey | KZZDZDBAJIZPCE-UHFFFAOYSA-N |
Product Overview
8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione (CAS 333752-50-4), with molecular formula C18H22FN5O2 and molecular weight 359.18 g/mol. IUPAC: 8-(butan-2-ylamino)-7-[(4-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
Property Insights of 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione has 1 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 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 333752-50-4.
What is the molecular formula of 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is C18H22FN5O2.
What is the molecular weight of 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione is 359.18 g/mol.
Where can I buy 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-sec-Butylamino-7-(4-fluoro-benzyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.