RefChem:273031
TL;DR: RefChem:273031 (CAS 33450-33-8) is a chemical compound with molecular formula C31H27N5O3S and molecular weight 549.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[N-ethyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]anilino]methyl]benzenesulfonic acid
Also Known As: Benzenesulfonic acid, 3-[[ethyl[4-[[4-(phenylazo)-1-naphthalenyl]azo]phenyl]amino]methyl]-, 1-Phenylazo-4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)azo)naphthalene, m-Toluenesulfonic acid, alpha-(N-ethyl-p-((4-(phenylazo)-1-naphthyl)azo)anilino)-, 3-[(ethyl{4-[(e)-{4-[(e)-phenyldiazenyl]naphthalen-1-yl}diazenyl]phenyl}amino)methyl]benzenesulfonic acid, Benzenesulfonic acid, 3-((ethyl(4-(2-(4-(2-phenyldiazenyl)-1-naphthalenyl)diazenyl)phenyl)amino)methyl)-
| Molecular Formula | C31H27N5O3S |
|---|---|
| Molecular Weight | 549.18 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.1835 |
| Heavy Atoms | 40 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 33450-33-8 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=C(C=C2)N=NC3=CC=C(C4=CC=CC=C43)N=NC5=CC=CC=C5 |
| InChIKey | DRGCFWHBDSNHCE-UHFFFAOYSA-N |
Product Overview
RefChem:273031 (CAS 33450-33-8), with molecular formula C31H27N5O3S and molecular weight 549.18 g/mol. IUPAC: 3-[[N-ethyl-4-[(4-phenyldiazenylnaphthalen-1-yl)diazenyl]anilino]methyl]benzenesulfonic acid.
Chemical Property Profile of RefChem:273031
Property Insights of RefChem:273031
The XLogP value of 7.5 indicates that RefChem:273031 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:273031. Following Lipinski's Rule of Five, RefChem:273031 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:273031?
The CAS number of RefChem:273031 is 33450-33-8.
What is the molecular formula of RefChem:273031?
The molecular formula of RefChem:273031 is C31H27N5O3S.
What is the molecular weight of RefChem:273031?
The molecular weight of RefChem:273031 is 549.18 g/mol.
Where can I buy RefChem:273031?
You can request a quote for RefChem:273031 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:273031?
Yes, KEHONG BIO provides custom synthesis services for RefChem:273031 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.