RefChem:118577
TL;DR: RefChem:118577 (CAS 14637-08-2) is a chemical compound with molecular formula C26H30N2O5S3 and molecular weight 546.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: BAS 00482520, Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, inner salt, 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate, Anhydro-2-(3-(3-ethyl-5-methoxy-2-benzothiazolinylidene)-2-ethylpropenyl)-3-(3-sulfopropyl)-5-methoxybenzothiazolium hydroxide, Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner salt
| Molecular Formula | C26H30N2O5S3 |
|---|---|
| Molecular Weight | 546.13 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 546.1317 |
| Heavy Atoms | 36 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 14637-08-2 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCS(=O)(=O)[O-])C=C3N(C4=C(S3)C=CC(=C4)OC)CC |
| InChIKey | BPVXRCNZOAFWOB-UHFFFAOYSA-N |
Product Overview
RefChem:118577 (CAS 14637-08-2), with molecular formula C26H30N2O5S3 and molecular weight 546.13 g/mol. IUPAC: 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:118577
Property Insights of RefChem:118577
The XLogP value of 6.1 indicates that RefChem:118577 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting RefChem:118577 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118577 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118577?
The CAS number of RefChem:118577 is 14637-08-2.
What is the molecular formula of RefChem:118577?
The molecular formula of RefChem:118577 is C26H30N2O5S3.
What is the molecular weight of RefChem:118577?
The molecular weight of RefChem:118577 is 546.13 g/mol.
Where can I buy RefChem:118577?
You can request a quote for RefChem:118577 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118577?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118577 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.