EINECS 229-025-7
TL;DR: EINECS 229-025-7 (CAS 6406-10-6) is a chemical compound with molecular formula C17H8Cl3NO2S and molecular weight 394.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dichloro-2-(6-chloro-3-hydroxy-4-methyl-1-benzothiophen-2-yl)indol-3-one
Also Known As: 5,7-Dichloro-2-(6-chloro-4-methyl-3-oxobenzo(b)thien-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one, (2E)-5,7-dichloro-2-(6-chloro-4-methyl-3-oxo-1-benzothiophen-2-ylidene)-1H-indol-3-one, 5,7-dichloro-2-(6-chloro-4-methyl-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene)-2,3-dihydro-1H-indol-3-one, 5,7-dichloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one, 5,7-Dichloro-2-[6-chloro-4-methyl-3-oxobenzo[b]thiophen-2(3H)-ylidene]-1H-indol-3(2H)-one
| Molecular Formula | C17H8Cl3NO2S |
|---|---|
| Molecular Weight | 394.93 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 394.93414 |
| Heavy Atoms | 24 |
| Complexity | 574.0 |
Chemical Identifiers
| CAS Number | 6406-10-6 |
|---|---|
| SMILES | CC1=CC(=CC2=C1C(=C(S2)C3=NC4=C(C3=O)C=C(C=C4Cl)Cl)O)Cl |
| InChIKey | MDHACOWOTYRRFQ-UHFFFAOYSA-N |
Product Overview
EINECS 229-025-7 (CAS 6406-10-6), with molecular formula C17H8Cl3NO2S and molecular weight 394.93 g/mol. IUPAC: 5,7-dichloro-2-(6-chloro-3-hydroxy-4-methyl-1-benzothiophen-2-yl)indol-3-one.
Chemical Property Profile of EINECS 229-025-7
Property Insights of EINECS 229-025-7
The XLogP value of 5.9 indicates that EINECS 229-025-7 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 229-025-7. Following Lipinski's Rule of Five, EINECS 229-025-7 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 229-025-7?
The CAS number of EINECS 229-025-7 is 6406-10-6.
What is the molecular formula of EINECS 229-025-7?
The molecular formula of EINECS 229-025-7 is C17H8Cl3NO2S.
What is the molecular weight of EINECS 229-025-7?
The molecular weight of EINECS 229-025-7 is 394.93 g/mol.
Where can I buy EINECS 229-025-7?
You can request a quote for EINECS 229-025-7 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-025-7?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-025-7 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.