BAS 00429601
TL;DR: BAS 00429601 (CAS 313982-27-3) is a chemical compound with molecular formula C20H18N4OS and molecular weight 362.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-6-[(E)-2-phenylethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Also Known As: BAS 00429601, AB00090658-01, ethyl 6-(2-phenylvinyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-3-yl sulfide, 3-ethylsulfanyl-6-[(E)-2-phenylethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine, (E)-3-(ethylthio)-6-styryl-6,7-dihydrobenzo[d][1,2,4]triazino[6,5-f][1,3]oxazepine
| Molecular Formula | C20H18N4OS |
|---|---|
| Molecular Weight | 362.12 g/mol |
| LogP | 4.4944 |
| Topological Polar Surface Area | 59.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.12012 |
| Heavy Atoms | 26 |
| Complexity | 930.1041 |
Chemical Identifiers
| CAS Number | 313982-27-3 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=CC=CC=C3NC(O2)/C=C/C4=CC=CC=C4)N=N1 |
Product Overview
BAS 00429601 (CAS 313982-27-3), with molecular formula C20H18N4OS and molecular weight 362.12 g/mol. IUPAC: 3-ethylsulfanyl-6-[(E)-2-phenylethenyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine.
Chemical Property Profile of BAS 00429601
Property Insights of BAS 00429601
The XLogP value of 4.4944 indicates that BAS 00429601 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 00429601 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00429601 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 00429601?
The CAS number of BAS 00429601 is 313982-27-3.
What is the molecular formula of BAS 00429601?
The molecular formula of BAS 00429601 is C20H18N4OS.
What is the molecular weight of BAS 00429601?
The molecular weight of BAS 00429601 is 362.12 g/mol.
Where can I buy BAS 00429601?
You can request a quote for BAS 00429601 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00429601?
Yes, KEHONG BIO provides custom synthesis services for BAS 00429601 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.