N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide
TL;DR: N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide (CAS 674817-16-4) is a chemical compound with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(benzenesulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
Also Known As: N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide, (1Z)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1-(phenylsulfonyl)-2-(2-1,2,3,4-tet rahydroisoquinolyl)-1-azaethene, (Z)-N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide, N'-(4,6-dimethylpyrimidin-2-yl)-N-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide, N'-(benzenesulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide
| Molecular Formula | C22H23N5O2S |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 3.30854 |
| Topological Polar Surface Area | 87.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.15726 |
| Heavy Atoms | 30 |
| Complexity | 1172.9095 |
Chemical Identifiers
| CAS Number | 674817-16-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N/C(=N/S(=O)(=O)C2=CC=CC=C2)/N3CCC4=CC=CC=C4C3)C |
Product Overview
N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide (CAS 674817-16-4), with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol. IUPAC: N'-(benzenesulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide.
Chemical Property Profile of N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide
Property Insights of N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide
The XLogP value of 3.30854 indicates that N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide. Following Lipinski's Rule of Five, N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide 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-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide?
The CAS number of N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide is 674817-16-4.
What is the molecular formula of N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide?
The molecular formula of N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide is C22H23N5O2S.
What is the molecular weight of N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide?
The molecular weight of N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide is 421.16 g/mol.
Where can I buy N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide?
You can request a quote for N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4,6-dimethylpyrimidin-2-yl)-N'-(phenylsulfonyl)-3,4-dihydroisoquinoline-2(1H)-carboximidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.