4-(5-methyl-2-thienyl)-1(2H)-phthalazinone
TL;DR: 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone (CAS 137382-47-9) is a chemical compound with molecular formula C13H10N2OS and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-methylthiophen-2-yl)-2H-phthalazin-1-one
Also Known As: 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone, 4-(5-methylthiophen-2-yl)-2H-phthalazin-1-one, 4-(5-methylthiophen-2-yl)-1,2-dihydrophthalazin-1-one, 4-(5-methyl-2-thienyl)-2H-phthalazin-1-one, 9W-0251
| Molecular Formula | C13H10N2OS |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 2.96002 |
| Topological Polar Surface Area | 45.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.05139 |
| Heavy Atoms | 17 |
| Complexity | 742.25934 |
Chemical Identifiers
| CAS Number | 137382-47-9 |
|---|---|
| SMILES | CC1=CC=C(S1)C2=NNC(=O)C3=CC=CC=C32 |
Product Overview
4-(5-methyl-2-thienyl)-1(2H)-phthalazinone (CAS 137382-47-9), with molecular formula C13H10N2OS and molecular weight 242.05 g/mol. IUPAC: 4-(5-methylthiophen-2-yl)-2H-phthalazin-1-one.
Chemical Property Profile of 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone
Property Insights of 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone
The XLogP value of 2.96002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone. With a topological polar surface area (TPSA) of 45.75 Ų, 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone has 1 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 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone?
The CAS number of 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone is 137382-47-9.
What is the molecular formula of 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone?
The molecular formula of 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone is C13H10N2OS.
What is the molecular weight of 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone?
The molecular weight of 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone is 242.05 g/mol.
Where can I buy 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone?
You can request a quote for 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-methyl-2-thienyl)-1(2H)-phthalazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.