ChemDiv1_001543
TL;DR: ChemDiv1_001543 (CAS 331002-61-0) is a chemical compound with molecular formula C15H12N4OS2 and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: ChemDiv1_001543, BAS 00330624, 3-methylsulfanyl-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(Methylsulfanyl)-6-(2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(Methylsulfanyl)-6-(2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine #
| Molecular Formula | C15H12N4OS2 |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.04526 |
| Heavy Atoms | 22 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 331002-61-0 |
|---|---|
| SMILES | CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CS4)N=N1 |
| InChIKey | WHXODBDDPALIEP-UHFFFAOYSA-N |
Product Overview
ChemDiv1_001543 (CAS 331002-61-0), with molecular formula C15H12N4OS2 and molecular weight 328.05 g/mol. IUPAC: 3-methylsulfanyl-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of ChemDiv1_001543
Property Insights of ChemDiv1_001543
The XLogP value of 3.1 indicates that ChemDiv1_001543 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001543. Following Lipinski's Rule of Five, ChemDiv1_001543 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_001543?
The CAS number of ChemDiv1_001543 is 331002-61-0.
What is the molecular formula of ChemDiv1_001543?
The molecular formula of ChemDiv1_001543 is C15H12N4OS2.
What is the molecular weight of ChemDiv1_001543?
The molecular weight of ChemDiv1_001543 is 328.05 g/mol.
Where can I buy ChemDiv1_001543?
You can request a quote for ChemDiv1_001543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001543?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.