C28H34N2O7S3Se
TL;DR: C28H34N2O7S3Se (CAS 24687-35-2) is a chemical compound with molecular formula C28H34N2O7S3Se and molecular weight 686.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[[5-methoxy-3-(3-sulfopropyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate
Also Known As: Hydrogen-2-(2-((5-methoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium, 2-[2-[[5-Methoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfonatopropyl)benzothiazol-3-ium, 3-[2-(2-{[5-methoxy-3-(3-sulfopropyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene}butylidene)-5,6-dimethyl-1,3-benzothiazol-3(2h)-yl]propane-1-sulfonate, 3-[2-[2-[[5-methoxy-3-(3-sulfopropyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate, Hydrogen-2-[2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]-5,6-dimethyl-3-(3-sulphonatopropyl)benzothiazolium
| Molecular Formula | C28H34N2O7S3Se |
|---|---|
| Molecular Weight | 686.07 g/mol |
| LogP | 4.27 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 686.06934 |
| Heavy Atoms | 41 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 24687-35-2 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C([Se]1)C=CC(=C2)OC)CCCS(=O)(=O)O)C=C3N(C4=C(S3)C=C(C(=C4)C)C)CCCS(=O)(=O)[O-] |
| InChIKey | HUQYQMSCHMZMBV-UHFFFAOYSA-N |
Product Overview
C28H34N2O7S3Se (CAS 24687-35-2), with molecular formula C28H34N2O7S3Se and molecular weight 686.07 g/mol. IUPAC: 3-[2-[2-[[5-methoxy-3-(3-sulfopropyl)-1,3-benzoselenazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazol-3-yl]propane-1-sulfonate.
Chemical Property Profile of C28H34N2O7S3Se
Property Insights of C28H34N2O7S3Se
The XLogP value of 4.27 indicates that C28H34N2O7S3Se is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting C28H34N2O7S3Se may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C28H34N2O7S3Se has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H34N2O7S3Se?
The CAS number of C28H34N2O7S3Se is 24687-35-2.
What is the molecular formula of C28H34N2O7S3Se?
The molecular formula of C28H34N2O7S3Se is C28H34N2O7S3Se.
What is the molecular weight of C28H34N2O7S3Se?
The molecular weight of C28H34N2O7S3Se is 686.07 g/mol.
Where can I buy C28H34N2O7S3Se?
You can request a quote for C28H34N2O7S3Se directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H34N2O7S3Se?
Yes, KEHONG BIO provides custom synthesis services for C28H34N2O7S3Se and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.