RefChem:118075
TL;DR: RefChem:118075 (CAS 97925-92-3) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aniline;benzenesulfonic acid;nitrobenzene
Also Known As: aniline; benzenesulfonic acid; nitrobenzene, Benzenesulfonic acid, mono-C10-14-alkyl derivs., compds. with neutralized aniline-nitrobenzene reaction products, Benzenesulfonic acid, mono-C10-14-alkyl derivs, compds. with neutralized aniline-nitrobenzene reaction products, Benzenesulfonic acid, mono-C10-14-alkyl derivs., compds. with neutralized aniline nitrobenzene reaction products, 308-204-4
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 3.7969 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 97925-92-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N.C1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | HJNZLDQROKPOQN-UHFFFAOYSA-N |
Product Overview
RefChem:118075 (CAS 97925-92-3), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: aniline;benzenesulfonic acid;nitrobenzene.
Chemical Property Profile of RefChem:118075
Property Insights of RefChem:118075
The XLogP value of 3.7969 indicates that RefChem:118075 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118075. Following Lipinski's Rule of Five, RefChem:118075 has 2 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 RefChem:118075?
The CAS number of RefChem:118075 is 97925-92-3.
What is the molecular formula of RefChem:118075?
The molecular formula of RefChem:118075 is C18H18N2O5S.
What is the molecular weight of RefChem:118075?
The molecular weight of RefChem:118075 is 374.09 g/mol.
Where can I buy RefChem:118075?
You can request a quote for RefChem:118075 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118075?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118075 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.