1-Pthpdd
TL;DR: 1-Pthpdd (CAS 126567-68-8) is a chemical compound with molecular formula C15H16N4O2 and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,8-trimethyl-1-phenyl-6H-pyrazolo[5,4-e][1,4]diazepine-4,7-dione
Also Known As: 1-Pthpdd, 1-Phenyl-3,5,8-trimethyl-1,4,5,6,7,8-hexahydropyrazolo(3,4-e)(1,4)diazepin-4,7-dione, 3,5,8-trimethyl-1-phenyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione, Pyrazolo[3,4-e][1,4]diazepine-4,7-dione,1,5,6,8-tetrahydro-3,5,8-trimethyl-1-phenyl-, 3,5,8-Trimethyl-1-phenyl-1,5,6,8-tetrahydropyrazolo[3,4-e][1,4]diazepine-4,7-dione
| Molecular Formula | C15H16N4O2 |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 284.12732 |
| Heavy Atoms | 21 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 126567-68-8 |
|---|---|
| SMILES | CC1=NN(C2=C1C(=O)N(CC(=O)N2C)C)C3=CC=CC=C3 |
| InChIKey | GGPMTVNYXSXKOJ-UHFFFAOYSA-N |
Product Overview
1-Pthpdd (CAS 126567-68-8), with molecular formula C15H16N4O2 and molecular weight 284.13 g/mol. IUPAC: 3,5,8-trimethyl-1-phenyl-6H-pyrazolo[5,4-e][1,4]diazepine-4,7-dione.
Chemical Property Profile of 1-Pthpdd
Property Insights of 1-Pthpdd
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Pthpdd. With a topological polar surface area (TPSA) of 58.4 Ų, 1-Pthpdd exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Pthpdd has 0 hydrogen bond donor(s) and 3 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-Pthpdd?
The CAS number of 1-Pthpdd is 126567-68-8.
What is the molecular formula of 1-Pthpdd?
The molecular formula of 1-Pthpdd is C15H16N4O2.
What is the molecular weight of 1-Pthpdd?
The molecular weight of 1-Pthpdd is 284.13 g/mol.
Where can I buy 1-Pthpdd?
You can request a quote for 1-Pthpdd directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Pthpdd?
Yes, KEHONG BIO provides custom synthesis services for 1-Pthpdd and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.