N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide (CAS 930674-81-0) is a chemical compound with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide, N-[(1,3-dioxaindan-5-yl)methyl]-3-[4,6-dimethyl-2-(methylsulfanyl)pyrimidin-5-yl]propanamide
| Molecular Formula | C18H21N3O3S |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 2.79304 |
| Topological Polar Surface Area | 73.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.13037 |
| Heavy Atoms | 25 |
| Complexity | 772.12604 |
Chemical Identifiers
| CAS Number | 930674-81-0 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC3=C(C=C2)OCO3 |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide (CAS 930674-81-0), with molecular formula C18H21N3O3S and molecular weight 359.13 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
The XLogP value of 2.79304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide. The TPSA of 73.34 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide has 1 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide is 930674-81-0.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide is C18H21N3O3S.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide is 359.13 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.