![N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide structure](/static/products/116/1164565-80-3.png)
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
TL;DR: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide (CAS 1164565-80-3) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
Also Known As: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide, (S)-N-(1-(1H-benzo[d]imidazol-2-yl)-3-(methylthio)propyl)-3-methyl-4-oxo-3,4-dihydrophthalazine-1-carboxamide, N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-3-(METHYLSULFANYL)PROPYL]-3-METHYL-4-OXO-3,4-DIHYDRO-1-PHTHALAZINECARBOXAMIDE, N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-methyl-4-oxo-1-phthalazinecarboxamide, N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-keto-3-methyl-phthalazine-1-carboxamide
| Molecular Formula | C21H21N5O2S |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 3.034 |
| Topological Polar Surface Area | 92.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.1416 |
| Heavy Atoms | 29 |
| Complexity | 1213.7714 |
Chemical Identifiers
| CAS Number | 1164565-80-3 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3 |
Product Overview
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide (CAS 1164565-80-3), with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol. IUPAC: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide.
Chemical Property Profile of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
Property Insights of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide
The XLogP value of 3.034 indicates that N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide. Following Lipinski's Rule of Five, N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide has 2 hydrogen bond donor(s) and 5 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-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The CAS number of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide is 1164565-80-3.
What is the molecular formula of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The molecular formula of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide is C21H21N5O2S.
What is the molecular weight of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The molecular weight of N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide is 407.14 g/mol.
Where can I buy N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide?
You can request a quote for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-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-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-methyl-4-oxophthalazine-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.