BAS 13118141
TL;DR: BAS 13118141 (CAS 350503-79-6) is a chemical compound with molecular formula C17H15BrN4O2S and molecular weight 418.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(5-bromofuran-2-yl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: BAS 13118141, AB00092159-01, 6-(5-bromofuran-2-yl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-(5-bromo-2-furyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine, 6-(5-bromo-2-furyl)-3-(propylthio)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
| Molecular Formula | C17H15BrN4O2S |
|---|---|
| Molecular Weight | 418.01 g/mol |
| LogP | 4.8993 |
| Topological Polar Surface Area | 73.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 418.00992 |
| Heavy Atoms | 25 |
| Complexity | 901.8593 |
Chemical Identifiers
| CAS Number | 350503-79-6 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)Br)N=N1 |
Product Overview
BAS 13118141 (CAS 350503-79-6), with molecular formula C17H15BrN4O2S and molecular weight 418.01 g/mol. IUPAC: 6-(5-bromofuran-2-yl)-3-propylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of BAS 13118141
Property Insights of BAS 13118141
The XLogP value of 4.8993 indicates that BAS 13118141 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13118141. Following Lipinski's Rule of Five, BAS 13118141 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 BAS 13118141?
The CAS number of BAS 13118141 is 350503-79-6.
What is the molecular formula of BAS 13118141?
The molecular formula of BAS 13118141 is C17H15BrN4O2S.
What is the molecular weight of BAS 13118141?
The molecular weight of BAS 13118141 is 418.01 g/mol.
Where can I buy BAS 13118141?
You can request a quote for BAS 13118141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13118141?
Yes, KEHONG BIO provides custom synthesis services for BAS 13118141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.