RefChem:564296
TL;DR: RefChem:564296 (CAS 68400-40-8) is a chemical compound with molecular formula C28H27N3O5S2 and molecular weight 549.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]-4-(4-methylphenyl)sulfonylbenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 3-((4-(ethyl(phenylmethyl)amino)phenyl)azo)-4-((4-methylphenyl)sulfonyl)-, 3-((4-(Ethyl(phenylmethyl)amino)phenyl)azo)-4-((4-methylphenyl)sulfonyl)benzenesulfonic acid, 3-[(e)-{4-[benzyl(ethyl)amino]phenyl}diazenyl]-4-[(4-methylphenyl)sulfonyl]benzenesulfonic acid, Benzenesulfonic acid, 3-[[4-[ethyl(phenylmethyl)amino]phenyl]azo]-4-[(4-methylphenyl)sulfonyl]-, 3-((4-(Ethyltolylamino)phenyl)azo)-4-(4-tolylsulphonyl)benzenesulphonic acid
| Molecular Formula | C28H27N3O5S2 |
|---|---|
| Molecular Weight | 549.14 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 549.1392 |
| Heavy Atoms | 38 |
| Complexity | 969.0 |
Chemical Identifiers
| CAS Number | 68400-40-8 |
|---|---|
| SMILES | CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)O)S(=O)(=O)C4=CC=C(C=C4)C |
| InChIKey | IJJGDLXWIBIJMW-UHFFFAOYSA-N |
Product Overview
RefChem:564296 (CAS 68400-40-8), with molecular formula C28H27N3O5S2 and molecular weight 549.14 g/mol. IUPAC: 3-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]-4-(4-methylphenyl)sulfonylbenzenesulfonic acid.
Chemical Property Profile of RefChem:564296
Property Insights of RefChem:564296
The XLogP value of 5.6 indicates that RefChem:564296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:564296. Following Lipinski's Rule of Five, RefChem:564296 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:564296?
The CAS number of RefChem:564296 is 68400-40-8.
What is the molecular formula of RefChem:564296?
The molecular formula of RefChem:564296 is C28H27N3O5S2.
What is the molecular weight of RefChem:564296?
The molecular weight of RefChem:564296 is 549.14 g/mol.
Where can I buy RefChem:564296?
You can request a quote for RefChem:564296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564296?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.