![N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide structure](/static/products/7902/790271-08-8.webp)
N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
TL;DR: N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide (CAS 790271-08-8) is a chemical compound with molecular formula C18H17ClN4O3 and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide
Also Known As: N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide, N-[3-(chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide, N-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide
| Molecular Formula | C18H17ClN4O3 |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 2.15724 |
| Topological Polar Surface Area | 85.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.0989 |
| Heavy Atoms | 26 |
| Complexity | 1097.7446 |
Chemical Identifiers
| CAS Number | 790271-08-8 |
|---|---|
| SMILES | CC1=CC(=C(N1NC(=O)C2=NN(C(=O)C3=CC=CC=C32)C)C)C(=O)CCl |
Product Overview
N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide (CAS 790271-08-8), with molecular formula C18H17ClN4O3 and molecular weight 372.10 g/mol. IUPAC: N-[3-(2-chloroacetyl)-2,5-dimethylpyrrol-1-yl]-3-methyl-4-oxophthalazine-1-carboxamide.
Chemical Property Profile of N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Property Insights of N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide
The XLogP value of 2.15724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide. The TPSA of 85.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide. Following Lipinski's Rule of Five, N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide 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 N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The CAS number of N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide is 790271-08-8.
What is the molecular formula of N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The molecular formula of N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide is C18H17ClN4O3.
What is the molecular weight of N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
The molecular weight of N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide is 372.10 g/mol.
Where can I buy N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
You can request a quote for N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(2-chloroacetyl)-2,5-dimethyl-1H-pyrrol-1-yl]-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.