CTK5H9564
TL;DR: CTK5H9564 (CAS 97889-92-4) is a chemical compound with molecular formula C29H36N2O5S3 and molecular weight 588.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate
Also Known As: EINECS 308-171-6, 2-(2-((5,6-Dimethoxy-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-3-ethyl-5,6-dimethylbenzothiazolium, 2-[2-[[5,6-DIMETHOXY-3-(4-SULFONATOBUTYL)-3H-BENZOTHIAZOL-2-YLIDENE]METHYL]BUT-1-ENYL]-3-ETHYL-5,6-DIMETHYLBENZOTHIAZOLIUM, 2-[2-[[5,6-dimethoxy-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5,6-dimethylbenzothiazolium, 4-(2-{2-[(3-Ethyl-5,6-dimethyl-1,3-benzothiazol-2(3H)-ylidene)methyl]but-1-en-1-yl}-5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl)butane-1-sulfonate
| Molecular Formula | C29H36N2O5S3 |
|---|---|
| Molecular Weight | 588.18 g/mol |
| LogP | 6.41524 |
| Topological Polar Surface Area | 82.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 588.17865 |
| Heavy Atoms | 39 |
| Complexity | 1540.2235 |
Chemical Identifiers
| CAS Number | 97889-92-4 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=CC(=C(C=C2S1)OC)OC)CCCCS(=O)(=O)[O-])C=C3N(C4=C(S3)C=C(C(=C4)C)C)CC |
Product Overview
CTK5H9564 (CAS 97889-92-4), with molecular formula C29H36N2O5S3 and molecular weight 588.18 g/mol. IUPAC: 4-[2-[2-[(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5,6-dimethoxy-1,3-benzothiazol-3-ium-3-yl]butane-1-sulfonate.
Chemical Property Profile of CTK5H9564
Property Insights of CTK5H9564
The XLogP value of 6.41524 indicates that CTK5H9564 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.78 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5H9564. Following Lipinski's Rule of Five, CTK5H9564 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 CTK5H9564?
The CAS number of CTK5H9564 is 97889-92-4.
What is the molecular formula of CTK5H9564?
The molecular formula of CTK5H9564 is C29H36N2O5S3.
What is the molecular weight of CTK5H9564?
The molecular weight of CTK5H9564 is 588.18 g/mol.
Where can I buy CTK5H9564?
You can request a quote for CTK5H9564 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5H9564?
Yes, KEHONG BIO provides custom synthesis services for CTK5H9564 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.