GRN4VRE6GK
TL;DR: GRN4VRE6GK (CAS 7331-22-8) is a chemical compound with molecular formula C24H28N6O9S2 and molecular weight 608.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-hydroxyethyl)amino]ethanol;6-methyl-2-[4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid
Also Known As: 2-(4-((Hexahydro-2,4,6-trioxo-5-pyrimidyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris(ethanol) (1:1), 6-methyl-2-{4-[(e)-(2,4,6-trioxohexahydropyrimidin-5-yl)diazenyl]phenyl}-1,3-benzothiazole-7-sulfonic acid- 2,2',2''-nitrilotriethanol(1:1), 7-Benzothiazolesulfonic acid, 2-[4-[(hexahydro-2,4,6-trioxo-5-pyrimidinyl)azo]phenyl]-6-methyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1), 2-(4-((Hexahydro-2,4,6-trioxo-5-pyrimidyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris(ethanol), 2-(4-((Hexahydro-2,4,6-trioxo-5-pyrimidyl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2,2-nitrilotris(ethanol) (1:1)
| Molecular Formula | C24H28N6O9S2 |
|---|---|
| Molecular Weight | 608.14 g/mol |
| LogP | 0.60202 |
| Topological Polar Surface Area | 268.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 608.1359 |
| Heavy Atoms | 41 |
| Complexity | 918.0 |
Chemical Identifiers
| CAS Number | 7331-22-8 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=O)NC(=O)NC4=O)S(=O)(=O)O.C(CO)N(CCO)CCO |
| InChIKey | AZHSURPXVDEIHG-UHFFFAOYSA-N |
Product Overview
GRN4VRE6GK (CAS 7331-22-8), with molecular formula C24H28N6O9S2 and molecular weight 608.14 g/mol. IUPAC: 2-[bis(2-hydroxyethyl)amino]ethanol;6-methyl-2-[4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]phenyl]-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of GRN4VRE6GK
Property Insights of GRN4VRE6GK
The XLogP value of 0.60202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for GRN4VRE6GK. The TPSA of 268.0 Ų indicates high polarity, suggesting GRN4VRE6GK may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GRN4VRE6GK has 6 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of GRN4VRE6GK?
The CAS number of GRN4VRE6GK is 7331-22-8.
What is the molecular formula of GRN4VRE6GK?
The molecular formula of GRN4VRE6GK is C24H28N6O9S2.
What is the molecular weight of GRN4VRE6GK?
The molecular weight of GRN4VRE6GK is 608.14 g/mol.
Where can I buy GRN4VRE6GK?
You can request a quote for GRN4VRE6GK directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GRN4VRE6GK?
Yes, KEHONG BIO provides custom synthesis services for GRN4VRE6GK and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.