BAS 00312092
TL;DR: BAS 00312092 (CAS 315239-39-5) is a chemical compound with molecular formula C19H13F3N4O4S and molecular weight 450.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-(4-phenyldiazenylphenyl)-4-(trifluoromethylsulfonyl)aniline
Also Known As: BAS 00312092, Benzenamine, 2-nitro-N-[4-(2-phenyldiazenyl)phenyl]-4-[(trifluoromethyl)sulfonyl]-, (2-Nitro-4-trifluoromethanesulfonyl-phenyl)-(4-phenylazo-phenyl)-amine, 2-nitro-N-(4-phenyldiazenylphenyl)-4-(trifluoromethylsulfonyl)aniline
| Molecular Formula | C19H13F3N4O4S |
|---|---|
| Molecular Weight | 450.06 g/mol |
| LogP | 6.0473 |
| Topological Polar Surface Area | 114.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.06097 |
| Heavy Atoms | 31 |
| Complexity | 1229.2578 |
Chemical Identifiers
| CAS Number | 315239-39-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
BAS 00312092 (CAS 315239-39-5), with molecular formula C19H13F3N4O4S and molecular weight 450.06 g/mol. IUPAC: 2-nitro-N-(4-phenyldiazenylphenyl)-4-(trifluoromethylsulfonyl)aniline.
Chemical Property Profile of BAS 00312092
Property Insights of BAS 00312092
The XLogP value of 6.0473 indicates that BAS 00312092 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.03 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00312092. Following Lipinski's Rule of Five, BAS 00312092 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00312092?
The CAS number of BAS 00312092 is 315239-39-5.
What is the molecular formula of BAS 00312092?
The molecular formula of BAS 00312092 is C19H13F3N4O4S.
What is the molecular weight of BAS 00312092?
The molecular weight of BAS 00312092 is 450.06 g/mol.
Where can I buy BAS 00312092?
You can request a quote for BAS 00312092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00312092?
Yes, KEHONG BIO provides custom synthesis services for BAS 00312092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.