RefChem:563852
TL;DR: RefChem:563852 (CAS 6994-53-2) is a chemical compound with molecular formula C29H29N5O2S and molecular weight 511.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzo[e]benzotriazol-2-yl-N-[3-(dimethylamino)propyl]-2-(2-phenylethenyl)benzenesulfonamide
Also Known As: n-[3- propyl]-5-2- benzenesulfonamide, Benzenesulfonamide, N-[3-(dimethylamino)propyl]-5-(2H-naphtho[1,2-d]triazol-2-yl)-2-(2-phenylethenyl)-, 2-Stilbenesulfonamide, N-[3-(dimethylamino)propyl]-4-(2H-naphtho[1,2-d]triazol-2-yl)-, Benzenesulfonamide, N-(3-(dimethylamino)propyl)-5-(2H-naphtho(1,2-d)triazol-2-yl)-2-(2-phenylethenyl)-, N-[3-(Dimethylamino)propyl]-5-(2H-naphtho[1,2-d]triazol-2-yl)-2-(2-phenylethenyl)benzenesulfonamide
| Molecular Formula | C29H29N5O2S |
|---|---|
| Molecular Weight | 511.20 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.2042 |
| Heavy Atoms | 37 |
| Complexity | 853.0 |
Chemical Identifiers
| CAS Number | 6994-53-2 |
|---|---|
| SMILES | CN(C)CCCNS(=O)(=O)C1=C(C=CC(=C1)N2N=C3C=CC4=CC=CC=C4C3=N2)C=CC5=CC=CC=C5 |
| InChIKey | NCAUVDFTNUOZEZ-UHFFFAOYSA-N |
Product Overview
RefChem:563852 (CAS 6994-53-2), with molecular formula C29H29N5O2S and molecular weight 511.20 g/mol. IUPAC: 5-benzo[e]benzotriazol-2-yl-N-[3-(dimethylamino)propyl]-2-(2-phenylethenyl)benzenesulfonamide.
Chemical Property Profile of RefChem:563852
Property Insights of RefChem:563852
The XLogP value of 6.2 indicates that RefChem:563852 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:563852. Following Lipinski's Rule of Five, RefChem:563852 has 1 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:563852?
The CAS number of RefChem:563852 is 6994-53-2.
What is the molecular formula of RefChem:563852?
The molecular formula of RefChem:563852 is C29H29N5O2S.
What is the molecular weight of RefChem:563852?
The molecular weight of RefChem:563852 is 511.20 g/mol.
Where can I buy RefChem:563852?
You can request a quote for RefChem:563852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563852?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.