BAS 00382962
TL;DR: BAS 00382962 (CAS 331658-70-9) is a chemical compound with molecular formula C15H14N2O5S and molecular weight 334.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine
Also Known As: BAS 00382962, N-{(E)-[5-(2-nitrophenyl)furan-2-yl]methylidene}tetrahydrothiophen-3-amine 1,1-dioxide, 3-{(1E)-2-[5-(2-nitrophenyl)(2-furyl)]-1-azavinyl}thiolane-1,1-dione, N-(1,1-dioxothiolan-3-yl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine, (E)-3-(((5-(2-nitrophenyl)furan-2-yl)methylene)amino)tetrahydrothiophene 1,1-dioxide
| Molecular Formula | C15H14N2O5S |
|---|---|
| Molecular Weight | 334.06 g/mol |
| LogP | 2.4608 |
| Topological Polar Surface Area | 102.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.06235 |
| Heavy Atoms | 23 |
| Complexity | 869.4973 |
Chemical Identifiers
| CAS Number | 331658-70-9 |
|---|---|
| SMILES | C1CS(=O)(=O)CC1N=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
BAS 00382962 (CAS 331658-70-9), with molecular formula C15H14N2O5S and molecular weight 334.06 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-1-[5-(2-nitrophenyl)furan-2-yl]methanimine.
Chemical Property Profile of BAS 00382962
Property Insights of BAS 00382962
The XLogP value of 2.4608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00382962. The TPSA of 102.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00382962. Following Lipinski's Rule of Five, BAS 00382962 has 0 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 00382962?
The CAS number of BAS 00382962 is 331658-70-9.
What is the molecular formula of BAS 00382962?
The molecular formula of BAS 00382962 is C15H14N2O5S.
What is the molecular weight of BAS 00382962?
The molecular weight of BAS 00382962 is 334.06 g/mol.
Where can I buy BAS 00382962?
You can request a quote for BAS 00382962 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00382962?
Yes, KEHONG BIO provides custom synthesis services for BAS 00382962 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.