NK 1975
TL;DR: NK 1975 (CAS 36531-77-8) is a chemical compound with molecular formula C27H27N2NaO6S4 and molecular weight 626.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-[(2Z)-2-[(2Z,4E,6Z)-7-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
Also Known As: NK 1975, Sodium 3-[(2Z)-2-{(2Z,4E,6Z)-7-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]hepta-2,4,6-trien-1-ylidene}-1,3-benzothiazol-3(2H)-yl]propane-1-sulfonate, sodium;3-[(2Z)-2-[(2Z,4E,6Z)-7-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate
| Molecular Formula | C27H27N2NaO6S4 |
|---|---|
| Molecular Weight | 626.06 g/mol |
| LogP | 1.6427 |
| Topological Polar Surface Area | 121.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 626.06494 |
| Heavy Atoms | 40 |
| Complexity | 1660.8848 |
Chemical Identifiers
| CAS Number | 36531-77-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(/C(=C/C=C\C=C\C=C/C3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)[O-])/S2)CCCS(=O)(=O)[O-].[Na+] |
Product Overview
NK 1975 (CAS 36531-77-8), with molecular formula C27H27N2NaO6S4 and molecular weight 626.06 g/mol. IUPAC: sodium 3-[(2Z)-2-[(2Z,4E,6Z)-7-[3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,3-benzothiazol-3-yl]propane-1-sulfonate.
Chemical Property Profile of NK 1975
Property Insights of NK 1975
The XLogP value of 1.6427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NK 1975. The TPSA of 121.52 Ų falls within the moderate polarity range, balancing permeability and solubility for NK 1975. Following Lipinski's Rule of Five, NK 1975 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 NK 1975?
The CAS number of NK 1975 is 36531-77-8.
What is the molecular formula of NK 1975?
The molecular formula of NK 1975 is C27H27N2NaO6S4.
What is the molecular weight of NK 1975?
The molecular weight of NK 1975 is 626.06 g/mol.
Where can I buy NK 1975?
You can request a quote for NK 1975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NK 1975?
Yes, KEHONG BIO provides custom synthesis services for NK 1975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.