ChemDiv1_001503
TL;DR: ChemDiv1_001503 (CAS 328271-71-2) is a chemical compound with molecular formula C19H24N4OS and molecular weight 356.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane]
Also Known As: ChemDiv1_001503, 3'-(butylsulfanyl)-6',7'-dihydrospiro(cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine), 3'-(butylthio)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine], 3-butylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane]
| Molecular Formula | C19H24N4OS |
|---|---|
| Molecular Weight | 356.17 g/mol |
| LogP | 4.8955 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.16708 |
| Heavy Atoms | 25 |
| Complexity | 745.954 |
Chemical Identifiers
| CAS Number | 328271-71-2 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=CC=CC=C3NC4(O2)CCCCC4)N=N1 |
Product Overview
ChemDiv1_001503 (CAS 328271-71-2), with molecular formula C19H24N4OS and molecular weight 356.17 g/mol. IUPAC: 3-butylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane].
Chemical Property Profile of ChemDiv1_001503
Property Insights of ChemDiv1_001503
The XLogP value of 4.8955 indicates that ChemDiv1_001503 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_001503 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_001503 has 1 hydrogen bond donor(s) and 6 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_001503?
The CAS number of ChemDiv1_001503 is 328271-71-2.
What is the molecular formula of ChemDiv1_001503?
The molecular formula of ChemDiv1_001503 is C19H24N4OS.
What is the molecular weight of ChemDiv1_001503?
The molecular weight of ChemDiv1_001503 is 356.17 g/mol.
Where can I buy ChemDiv1_001503?
You can request a quote for ChemDiv1_001503 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001503?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001503 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.