BAS 00366135
TL;DR: BAS 00366135 (CAS 5492-42-2) is a chemical compound with molecular formula C19H22N4OS and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4,6-dimethylcyclohex-3-en-1-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: BAS 00366135, BIM-0022570.P001, 6-(4,6-dimethylcyclohex-3-en-1-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-(4,6-dimethyl-3-cyclohexen-1-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl methyl sulfide, 6-(4,6-dimethyl-3-cyclohexenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C19H22N4OS |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 4.3833 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.15143 |
| Heavy Atoms | 25 |
| Complexity | 822.8214 |
Chemical Identifiers
| CAS Number | 5492-42-2 |
|---|---|
| SMILES | CC1CC(=CCC1C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C |
Product Overview
BAS 00366135 (CAS 5492-42-2), with molecular formula C19H22N4OS and molecular weight 354.15 g/mol. IUPAC: 6-(4,6-dimethylcyclohex-3-en-1-yl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of BAS 00366135
Property Insights of BAS 00366135
The XLogP value of 4.3833 indicates that BAS 00366135 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.93 Ų, BAS 00366135 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00366135 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 BAS 00366135?
The CAS number of BAS 00366135 is 5492-42-2.
What is the molecular formula of BAS 00366135?
The molecular formula of BAS 00366135 is C19H22N4OS.
What is the molecular weight of BAS 00366135?
The molecular weight of BAS 00366135 is 354.15 g/mol.
Where can I buy BAS 00366135?
You can request a quote for BAS 00366135 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00366135?
Yes, KEHONG BIO provides custom synthesis services for BAS 00366135 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.