EINECS 274-807-3
TL;DR: EINECS 274-807-3 (CAS 70714-82-8) is a chemical compound with molecular formula C37H37N2O7S2+ and molecular weight 685.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one;4-methylbenzenesulfonic acid
Also Known As: EINECS 274-807-3, 2-(2-(2,5-Dihydro-2-methyl-5-oxo-3-phenylisoxazol-4-yl)vinyl)-1-ethyl-3,3-dimethyl-5-(phenylsulphonyl)-3H-indolium toluene-p-sulphonate, 3H-Indolium, 2-(2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl)-1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)-, 4-methylbenzenesulfonate (1:1), 3H-Indolium, 2-(2-(2,5-dihydro-2-methyl-5-oxo-3-phenyl-4-isoxazolyl)ethenyl)-1-ethyl-3,3-dimethyl-5-(phenylsulfonyl)-, salt with 4-methylbenzenesulfonic acid (1:1), 4-[(E)-2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one; 4-methylbenzenesulfonic acid
| Molecular Formula | C37H37N2O7S2+ |
|---|---|
| Molecular Weight | 685.20 g/mol |
| LogP | 6.82932 |
| Topological Polar Surface Area | 126.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 685.2042 |
| Heavy Atoms | 48 |
| Complexity | 2300.637 |
Chemical Identifiers
| CAS Number | 70714-82-8 |
|---|---|
| SMILES | CC[N+]1=C(C(C2=C1C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)(C)C)/C=C/C4=C(N(OC4=O)C)C5=CC=CC=C5.CC1=CC=C(C=C1)S(=O)(=O)O |
Product Overview
EINECS 274-807-3 (CAS 70714-82-8), with molecular formula C37H37N2O7S2+ and molecular weight 685.20 g/mol. IUPAC: 4-[(E)-2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-methyl-3-phenyl-1,2-oxazol-5-one;4-methylbenzenesulfonic acid.
Chemical Property Profile of EINECS 274-807-3
Property Insights of EINECS 274-807-3
The XLogP value of 6.82932 indicates that EINECS 274-807-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.66 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 274-807-3. Following Lipinski's Rule of Five, EINECS 274-807-3 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 274-807-3?
The CAS number of EINECS 274-807-3 is 70714-82-8.
What is the molecular formula of EINECS 274-807-3?
The molecular formula of EINECS 274-807-3 is C37H37N2O7S2+.
What is the molecular weight of EINECS 274-807-3?
The molecular weight of EINECS 274-807-3 is 685.20 g/mol.
Where can I buy EINECS 274-807-3?
You can request a quote for EINECS 274-807-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 274-807-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 274-807-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.