RefChem:823849
TL;DR: RefChem:823849 (CAS 538336-32-2) is a chemical compound with molecular formula C13H13N5O4S and molecular weight 335.07 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-[(4-formamido-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: SALOR-INT L445320-1EA, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(formylamino)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-((4-formamido-4H-1,2,4-triazol-3-yl)thio)acetamide, 644-702-0, N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-2-((4-(FORMYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDE
| Molecular Formula | C13H13N5O4S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 0.48 |
| Topological Polar Surface Area | 107.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.06882 |
| Heavy Atoms | 23 |
| Complexity | 720.1405 |
Chemical Identifiers
| CAS Number | 538336-32-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=CN3NC=O |
Product Overview
RefChem:823849 (CAS 538336-32-2), with molecular formula C13H13N5O4S and molecular weight 335.07 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-formamido-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of RefChem:823849
Property Insights of RefChem:823849
The XLogP value of 0.48 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:823849. The TPSA of 107.37 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:823849. Following Lipinski's Rule of Five, RefChem:823849 has 2 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 RefChem:823849?
The CAS number of RefChem:823849 is 538336-32-2.
What is the molecular formula of RefChem:823849?
The molecular formula of RefChem:823849 is C13H13N5O4S.
What is the molecular weight of RefChem:823849?
The molecular weight of RefChem:823849 is 335.07 g/mol.
Where can I buy RefChem:823849?
You can request a quote for RefChem:823849 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:823849?
Yes, KEHONG BIO provides custom synthesis services for RefChem:823849 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.