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N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine
TL;DR: N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine (CAS 696631-63-7) is a chemical compound with molecular formula C12H15N6O3P and molecular weight 322.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine
Also Known As: diethyl tetrazolo[5,1-a]phthalazin-6-ylphosphoramidate, N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine, A3593/0152303, DIETHYL TETRAZOLO[5,1-A]PHTHALAZIN-6-YLAMIDOPHOSPHATE
| Molecular Formula | C12H15N6O3P |
|---|---|
| Molecular Weight | 322.09 g/mol |
| LogP | 2.2655 |
| Topological Polar Surface Area | 103.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.09433 |
| Heavy Atoms | 22 |
| Complexity | 841.1153 |
Chemical Identifiers
| CAS Number | 696631-63-7 |
|---|---|
| SMILES | CCOP(=O)(NC1=NN2C(=NN=N2)C3=CC=CC=C31)OCC |
Product Overview
N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine (CAS 696631-63-7), with molecular formula C12H15N6O3P and molecular weight 322.09 g/mol. IUPAC: N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine.
Chemical Property Profile of N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine
Property Insights of N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine
The XLogP value of 2.2655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine. The TPSA of 103.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine. Following Lipinski's Rule of Five, N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine 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 N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine?
The CAS number of N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine is 696631-63-7.
What is the molecular formula of N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine?
The molecular formula of N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine is C12H15N6O3P.
What is the molecular weight of N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine?
The molecular weight of N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine is 322.09 g/mol.
Where can I buy N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine?
You can request a quote for N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine?
Yes, KEHONG BIO provides custom synthesis services for N-diethoxyphosphoryltetrazolo[5,1-a]phthalazin-6-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.