![N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide structure](/static/products/844/844830-05-3.png)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
TL;DR: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide (CAS 844830-05-3) is a chemical compound with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
Also Known As: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]ethanamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio]acetamide
| Molecular Formula | C21H17N3O4S |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.09396 |
| Heavy Atoms | 29 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 844830-05-3 |
|---|---|
| SMILES | CC1=NC2=C(C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCCO4)OC5=CC=CC=C52 |
| InChIKey | FQBQPWNRPZORNL-UHFFFAOYSA-N |
Product Overview
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide (CAS 844830-05-3), with molecular formula C21H17N3O4S and molecular weight 407.09 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
Property Insights of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide
The XLogP value of 3.9 indicates that N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide has 1 hydrogen bond donor(s) and 7 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide?
The CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide is 844830-05-3.
What is the molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide?
The molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide is C21H17N3O4S.
What is the molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide?
The molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide is 407.09 g/mol.
Where can I buy N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide?
You can request a quote for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.