![2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate structure](/static/products/338/338418-00-1.png)
2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate
TL;DR: 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate (CAS 338418-00-1) is a chemical compound with molecular formula C20H15N3OS and molecular weight 345.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-(1-oxidopyridin-1-ium-2-yl)sulfanylphthalazine
Also Known As: Bionet2_000721, 2-[(4-benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate, MC 258231, 1-benzyl-4-(1-oxidopyridin-1-ium-2-yl)sulfanylphthalazine, 2-[(4-benzylphthalazin-1-yl)sulfanyl]pyridin-1-ium-1-olate
| Molecular Formula | C20H15N3OS |
|---|---|
| Molecular Weight | 345.09 g/mol |
| LogP | 4.0052 |
| Topological Polar Surface Area | 52.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.0936 |
| Heavy Atoms | 25 |
| Complexity | 1021.5109 |
Chemical Identifiers
| CAS Number | 338418-00-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)SC4=CC=CC=[N+]4[O-] |
Product Overview
2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate (CAS 338418-00-1), with molecular formula C20H15N3OS and molecular weight 345.09 g/mol. IUPAC: 1-benzyl-4-(1-oxidopyridin-1-ium-2-yl)sulfanylphthalazine.
Chemical Property Profile of 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate
Property Insights of 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate
The XLogP value of 4.0052 indicates that 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.72 Ų, 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate has 0 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 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate?
The CAS number of 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate is 338418-00-1.
What is the molecular formula of 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate?
The molecular formula of 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate is C20H15N3OS.
What is the molecular weight of 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate?
The molecular weight of 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate is 345.09 g/mol.
Where can I buy 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate?
You can request a quote for 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Benzyl-1-phthalazinyl)sulfanyl]-1-pyridiniumolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.