EINECS 298-521-3
TL;DR: EINECS 298-521-3 (CAS 93805-38-0) is a chemical compound with molecular formula C25H21Cl2N5S and molecular weight 493.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-(3-phenylpropyl)anilino]propanenitrile
Also Known As: EINECS 298-521-3, 3-((4-((5,6-Dichlorobenzothiazol-2-yl)azo)phenyl)(3-phenylpropyl)amino)propiononitrile, 3-[[4-[(5,6-DICHLOROBENZOTHIAZOL-2-YL)AZO]PHENYL](3-PHENYLPROPYL)AMINO]PROPIONONITRILE, 3-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-(3-phenylpropyl)anilino]propanenitrile, 3-[[4-[(5,6-Dichloro-2-benzothiazolyl)azo]phenyl](3-phenylpropyl)amino]propanenitrile
| Molecular Formula | C25H21Cl2N5S |
|---|---|
| Molecular Weight | 493.09 g/mol |
| LogP | 8.37138 |
| Topological Polar Surface Area | 64.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.08948 |
| Heavy Atoms | 33 |
| Complexity | 1241.1488 |
Chemical Identifiers
| CAS Number | 93805-38-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCN(CCC#N)C2=CC=C(C=C2)N=NC3=NC4=CC(=C(C=C4S3)Cl)Cl |
Product Overview
EINECS 298-521-3 (CAS 93805-38-0), with molecular formula C25H21Cl2N5S and molecular weight 493.09 g/mol. IUPAC: 3-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-(3-phenylpropyl)anilino]propanenitrile.
Chemical Property Profile of EINECS 298-521-3
Property Insights of EINECS 298-521-3
The XLogP value of 8.37138 indicates that EINECS 298-521-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.64 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 298-521-3. Following Lipinski's Rule of Five, EINECS 298-521-3 has 0 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 EINECS 298-521-3?
The CAS number of EINECS 298-521-3 is 93805-38-0.
What is the molecular formula of EINECS 298-521-3?
The molecular formula of EINECS 298-521-3 is C25H21Cl2N5S.
What is the molecular weight of EINECS 298-521-3?
The molecular weight of EINECS 298-521-3 is 493.09 g/mol.
Where can I buy EINECS 298-521-3?
You can request a quote for EINECS 298-521-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 298-521-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 298-521-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.