ChemDiv1_001675
TL;DR: ChemDiv1_001675 (CAS 41384-02-5) is a chemical compound with molecular formula C16H18N4OS and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane]
Also Known As: ChemDiv1_001675, BIM-0022413.P001, 3'-(methylsulfanyl)-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine], 3-methylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane], 5'-(methylsulfanyl)-8'-oxa-3',4',6',10'-tetraazaspiro[cyclohexane-1,9'-tricyclo[9.4.0.0(2),?]pentadecane]-1'(11'),2',4',6',12',14'-hexaene
| Molecular Formula | C16H18N4OS |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.7252 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 314.12012 |
| Heavy Atoms | 22 |
| Complexity | 700.2952 |
Chemical Identifiers
| CAS Number | 41384-02-5 |
|---|---|
| SMILES | CSC1=NC2=C(C3=CC=CC=C3NC4(O2)CCCCC4)N=N1 |
Product Overview
ChemDiv1_001675 (CAS 41384-02-5), with molecular formula C16H18N4OS and molecular weight 314.12 g/mol. IUPAC: 3-methylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane].
Chemical Property Profile of ChemDiv1_001675
Property Insights of ChemDiv1_001675
The XLogP value of 3.7252 indicates that ChemDiv1_001675 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_001675 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_001675 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_001675?
The CAS number of ChemDiv1_001675 is 41384-02-5.
What is the molecular formula of ChemDiv1_001675?
The molecular formula of ChemDiv1_001675 is C16H18N4OS.
What is the molecular weight of ChemDiv1_001675?
The molecular weight of ChemDiv1_001675 is 314.12 g/mol.
Where can I buy ChemDiv1_001675?
You can request a quote for ChemDiv1_001675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001675?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.