BAS 00365947
TL;DR: BAS 00365947 (CAS 313955-89-4) is a chemical compound with molecular formula C21H16N4OS and molecular weight 372.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-6-naphthalen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: BAS 00365947, 3-methylsulfanyl-6-naphthalen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 3-(methylsulfanyl)-6-(2-naphthyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C21H16N4OS |
|---|---|
| Molecular Weight | 372.10 g/mol |
| LogP | 4.9168 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.1045 |
| Heavy Atoms | 27 |
| Complexity | 1147.7845 |
Chemical Identifiers
| CAS Number | 313955-89-4 |
|---|---|
| SMILES | CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC5=CC=CC=C5C=C4)N=N1 |
Product Overview
BAS 00365947 (CAS 313955-89-4), with molecular formula C21H16N4OS and molecular weight 372.10 g/mol. IUPAC: 3-methylsulfanyl-6-naphthalen-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of BAS 00365947
Property Insights of BAS 00365947
The XLogP value of 4.9168 indicates that BAS 00365947 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 00365947 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00365947 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 00365947?
The CAS number of BAS 00365947 is 313955-89-4.
What is the molecular formula of BAS 00365947?
The molecular formula of BAS 00365947 is C21H16N4OS.
What is the molecular weight of BAS 00365947?
The molecular weight of BAS 00365947 is 372.10 g/mol.
Where can I buy BAS 00365947?
You can request a quote for BAS 00365947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00365947?
Yes, KEHONG BIO provides custom synthesis services for BAS 00365947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.