RefChem:118610
TL;DR: RefChem:118610 (CAS 35379-58-9) is a chemical compound with molecular formula C25H24N2O4S2 and molecular weight 480.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[[3-(2-carboxyethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propanoate
Also Known As: Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-, inner salt, Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-, inner salt, 3-(2-Carboxyethyl)-2-(3-(3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)-2-ethyl-1-propenyl)benzothiazolium hydroxide inner salt, Benzothiazolium, 3-(2-carboxyethyl)-2-(2-((3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-, inner salt, Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt
| Molecular Formula | C25H24N2O4S2 |
|---|---|
| Molecular Weight | 480.12 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.11774 |
| Heavy Atoms | 33 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 35379-58-9 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=CC=CC=C2S1)CCC(=O)O)C=C3N(C4=CC=CC=C4S3)CCC(=O)[O-] |
| InChIKey | KDSIASSODAWJDE-UHFFFAOYSA-N |
Product Overview
RefChem:118610 (CAS 35379-58-9), with molecular formula C25H24N2O4S2 and molecular weight 480.12 g/mol. IUPAC: 3-[2-[2-[[3-(2-carboxyethyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]propanoate.
Chemical Property Profile of RefChem:118610
Property Insights of RefChem:118610
The XLogP value of 6.3 indicates that RefChem:118610 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118610. Following Lipinski's Rule of Five, RefChem:118610 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118610?
The CAS number of RefChem:118610 is 35379-58-9.
What is the molecular formula of RefChem:118610?
The molecular formula of RefChem:118610 is C25H24N2O4S2.
What is the molecular weight of RefChem:118610?
The molecular weight of RefChem:118610 is 480.12 g/mol.
Where can I buy RefChem:118610?
You can request a quote for RefChem:118610 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118610?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118610 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.