EINECS 265-373-6
TL;DR: EINECS 265-373-6 (CAS 65072-44-8) is a chemical compound with molecular formula C19H17N5O5S2 and molecular weight 459.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[[(4R)-1-(hydroxymethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid
Also Known As: EINECS 265-373-6, 7-Benzothiazolesulfonic acid, 2-(4-((1-(hydroxymethyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 7-Benzothiazolesulfonic acid, 2-(4-(2-(4,5-dihydro-1-(hydroxymethyl)-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 7-Benzothiazolesulfonic acid, 2-(p-((1-(hydroxymethyl)-3-methyl-5-oxo-2-pyrazolin-4-yl)azo)phenyl)-6-methyl-, compd. with 2,2',2''-nitrilotriethanol (1:1), 2-(4-((1-(Hydroxymethyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)phenyl)-6-methylbenzothiazole-7-sulphonic acid, compound with 2,2',2''-nitrilotris(ethanol) (1:1)
| Molecular Formula | C19H17N5O5S2 |
|---|---|
| Molecular Weight | 459.07 g/mol |
| LogP | 3.13862 |
| Topological Polar Surface Area | 144.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.0671 |
| Heavy Atoms | 31 |
| Complexity | 1346.0156 |
Chemical Identifiers
| CAS Number | 65072-44-8 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=N[C@@H]4C(=NN(C4=O)CO)C)S(=O)(=O)O |
Product Overview
EINECS 265-373-6 (CAS 65072-44-8), with molecular formula C19H17N5O5S2 and molecular weight 459.07 g/mol. IUPAC: 2-[4-[[(4R)-1-(hydroxymethyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of EINECS 265-373-6
Property Insights of EINECS 265-373-6
The XLogP value of 3.13862 indicates that EINECS 265-373-6 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.88 Ų indicates high polarity, suggesting EINECS 265-373-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 265-373-6 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 265-373-6?
The CAS number of EINECS 265-373-6 is 65072-44-8.
What is the molecular formula of EINECS 265-373-6?
The molecular formula of EINECS 265-373-6 is C19H17N5O5S2.
What is the molecular weight of EINECS 265-373-6?
The molecular weight of EINECS 265-373-6 is 459.07 g/mol.
Where can I buy EINECS 265-373-6?
You can request a quote for EINECS 265-373-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 265-373-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 265-373-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.