RefChem:832020
TL;DR: RefChem:832020 (CAS 63149-36-0) is a chemical compound with molecular formula C25H23N2NaO6S4 and molecular weight 598.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
Also Known As: Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-, inner salt, sodium salt, 1-(3-Sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)naphtho(1,2-d)thiazolium hydroxide inner salt, sodium salt, Naphtho(1,2-d)thiazolium, 1-(3-sulfopropyl)-2-((3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-, inner salt, sodium salt (1:1), Naphtho[1,2-d]thiazolium, 1-(3-sulfopropyl)-2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-, inner salt, sodium salt, 1-(3-sulfopropyl)-2-((3-(3-sulfopropyl)-2(3h)-benzothiazolylidene)methyl)-naphtho(1,2-d)thiazolium inner salt sodium salt
| Molecular Formula | C25H23N2NaO6S4 |
|---|---|
| Molecular Weight | 598.03 g/mol |
| LogP | 1.13 |
| Topological Polar Surface Area | 192.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 598.0337 |
| Heavy Atoms | 38 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 63149-36-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2[N+](=C(S3)C=C4N(C5=CC=CC=C5S4)CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-].[Na+] |
| InChIKey | QPXWEBRFAMDWFJ-UHFFFAOYSA-M |
Product Overview
RefChem:832020 (CAS 63149-36-0), with molecular formula C25H23N2NaO6S4 and molecular weight 598.03 g/mol. IUPAC: sodium 3-[2-[[1-(3-sulfonatopropyl)benzo[e][1,3]benzothiazol-1-ium-2-yl]methylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:832020
Property Insights of RefChem:832020
The XLogP value of 1.13 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:832020. The TPSA of 192.0 Ų indicates high polarity, suggesting RefChem:832020 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:832020 has 0 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 RefChem:832020?
The CAS number of RefChem:832020 is 63149-36-0.
What is the molecular formula of RefChem:832020?
The molecular formula of RefChem:832020 is C25H23N2NaO6S4.
What is the molecular weight of RefChem:832020?
The molecular weight of RefChem:832020 is 598.03 g/mol.
Where can I buy RefChem:832020?
You can request a quote for RefChem:832020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:832020?
Yes, KEHONG BIO provides custom synthesis services for RefChem:832020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.