BAS 04038105
TL;DR: BAS 04038105 (CAS 557069-72-4) is a chemical compound with molecular formula C17H16N4O4S and molecular weight 372.09 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-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 04038105, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-(5-furan-2-yl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide, N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C17H16N4O4S |
|---|---|
| Molecular Weight | 372.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.08923 |
| Heavy Atoms | 26 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 557069-72-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CO4 |
| InChIKey | KIYSYRINYXDSQP-UHFFFAOYSA-N |
Product Overview
BAS 04038105 (CAS 557069-72-4), with molecular formula C17H16N4O4S and molecular weight 372.09 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 04038105
Property Insights of BAS 04038105
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04038105. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04038105. Following Lipinski's Rule of Five, BAS 04038105 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 BAS 04038105?
The CAS number of BAS 04038105 is 557069-72-4.
What is the molecular formula of BAS 04038105?
The molecular formula of BAS 04038105 is C17H16N4O4S.
What is the molecular weight of BAS 04038105?
The molecular weight of BAS 04038105 is 372.09 g/mol.
Where can I buy BAS 04038105?
You can request a quote for BAS 04038105 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04038105?
Yes, KEHONG BIO provides custom synthesis services for BAS 04038105 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.