RefChem:118008
TL;DR: RefChem:118008 (CAS 63589-43-5) is a chemical compound with molecular formula C35H51N3O3S and molecular weight 593.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;4-dodecylbenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 4-dodecyl-, compd. with 4,4'-carbonimidoylbis(N,N-dimethylbenzenamine) (1:1), Benzenesulfonic acid, 4-dodecyl-, compd. with 4,4'-carbonimidoylbis[N,N-dimethylbenzenamine] (1:1), 4-dodecylbenzenesulfonic acid- 4,4'-carbonimidoylbis(n,n-dimethylaniline)(1:1), 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline; 4-dodecylbenzenesulfonic acid, 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;4-dodecylbenzenesulfonic acid
| Molecular Formula | C35H51N3O3S |
|---|---|
| Molecular Weight | 593.37 g/mol |
| LogP | 8.63 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 593.3651 |
| Heavy Atoms | 42 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 63589-43-5 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C |
| InChIKey | UUJMSGLHQXQENH-UHFFFAOYSA-N |
Product Overview
RefChem:118008 (CAS 63589-43-5), with molecular formula C35H51N3O3S and molecular weight 593.37 g/mol. IUPAC: 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;4-dodecylbenzenesulfonic acid.
Chemical Property Profile of RefChem:118008
Property Insights of RefChem:118008
The XLogP value of 8.63 indicates that RefChem:118008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118008. Following Lipinski's Rule of Five, RefChem:118008 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118008?
The CAS number of RefChem:118008 is 63589-43-5.
What is the molecular formula of RefChem:118008?
The molecular formula of RefChem:118008 is C35H51N3O3S.
What is the molecular weight of RefChem:118008?
The molecular weight of RefChem:118008 is 593.37 g/mol.
Where can I buy RefChem:118008?
You can request a quote for RefChem:118008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118008?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.