1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺
TL;DR: 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺 (CAS 221243-82-9) is a chemical compound with molecular formula C19H19N5 and molecular weight 317.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺
1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
Also Known As: 1-NAPHTHYL PP1, 1-NA-PP1, pp1 analog, 1-naphthyl-PP1, 4gkh
| Molecular Formula | C19H19N5 |
|---|---|
| Molecular Weight | 317.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 317.16403 |
| Heavy Atoms | 24 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 221243-82-9 |
|---|---|
| SMILES | CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC4=CC=CC=C43)N |
| InChIKey | XSHQBIXMLULFEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺 (CAS 221243-82-9), with molecular formula C19H19N5 and molecular weight 317.16 g/mol. IUPAC: 1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine.
Chemical Property Profile of 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺
Property Insights of 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺
The XLogP value of 3.6 indicates that 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺. Following Lipinski's Rule of Five, 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺 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 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺?
The CAS number of 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺 is 221243-82-9.
What is the molecular formula of 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺?
The molecular formula of 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺 is C19H19N5.
What is the molecular weight of 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺?
The molecular weight of 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺 is 317.16 g/mol.
Where can I buy 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺?
You can request a quote for 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺?
Yes, KEHONG BIO provides custom synthesis services for 1-叔丁基-3-萘-1-基吡唑并(3,4-d)嘧啶-4-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.