ChemDiv1_008949
TL;DR: ChemDiv1_008949 (CAS 315710-29-3) is a chemical compound with molecular formula C17H12N4O3S2 and molecular weight 384.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide
Also Known As: ChemDiv1_008949, AF-399/15335265, N-(1,3-benzodioxol-5-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)acetamide, F1174-1777, N-(2H-1,3-benzodioxol-5-yl)-2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}acetamide
| Molecular Formula | C17H12N4O3S2 |
|---|---|
| Molecular Weight | 384.04 g/mol |
| LogP | 3.4035 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.0351 |
| Heavy Atoms | 26 |
| Complexity | 1137.6559 |
Chemical Identifiers
| CAS Number | 315710-29-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
ChemDiv1_008949 (CAS 315710-29-3), with molecular formula C17H12N4O3S2 and molecular weight 384.04 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)acetamide.
Chemical Property Profile of ChemDiv1_008949
Property Insights of ChemDiv1_008949
The XLogP value of 3.4035 indicates that ChemDiv1_008949 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008949. Following Lipinski's Rule of Five, ChemDiv1_008949 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 ChemDiv1_008949?
The CAS number of ChemDiv1_008949 is 315710-29-3.
What is the molecular formula of ChemDiv1_008949?
The molecular formula of ChemDiv1_008949 is C17H12N4O3S2.
What is the molecular weight of ChemDiv1_008949?
The molecular weight of ChemDiv1_008949 is 384.04 g/mol.
Where can I buy ChemDiv1_008949?
You can request a quote for ChemDiv1_008949 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008949?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008949 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.