ChemDiv1_001415
TL;DR: ChemDiv1_001415 (CAS 353777-01-2) is a chemical compound with molecular formula C18H18N4OS2 and molecular weight 370.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanyl-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: ChemDiv1_001415, 3-(butylsulfanyl)-6-(2-thienyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-butylsulfanyl-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C18H18N4OS2 |
|---|---|
| Molecular Weight | 370.09 g/mol |
| LogP | 4.9954 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.0922 |
| Heavy Atoms | 25 |
| Complexity | 854.04224 |
Chemical Identifiers
| CAS Number | 353777-01-2 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CS4)N=N1 |
Product Overview
ChemDiv1_001415 (CAS 353777-01-2), with molecular formula C18H18N4OS2 and molecular weight 370.09 g/mol. IUPAC: 3-butylsulfanyl-6-thiophen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of ChemDiv1_001415
Property Insights of ChemDiv1_001415
The XLogP value of 4.9954 indicates that ChemDiv1_001415 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, ChemDiv1_001415 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_001415 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_001415?
The CAS number of ChemDiv1_001415 is 353777-01-2.
What is the molecular formula of ChemDiv1_001415?
The molecular formula of ChemDiv1_001415 is C18H18N4OS2.
What is the molecular weight of ChemDiv1_001415?
The molecular weight of ChemDiv1_001415 is 370.09 g/mol.
Where can I buy ChemDiv1_001415?
You can request a quote for ChemDiv1_001415 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001415?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001415 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.