EINECS 307-118-4
TL;DR: EINECS 307-118-4 (CAS 97552-65-3) is a chemical compound with molecular formula C35H54N2O9S2 and molecular weight 710.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-5-[3-[5-(methylsulfamoyl)-2-octadecoxyanilino]-3-oxopropanoyl]benzenesulfonic acid
Also Known As: EINECS 307-118-4, 2-Methoxy-5-(3-((5-((methylamino)sulphonyl)-2-(octadecyloxy)phenyl)amino)-1,3-dioxopropyl)benzenesulphonic acid, 2-Methoxy-5-[3-[[5-[(methylamino)sulfonyl]-2-(octadecyloxy)phenyl]amino]-1,3-dioxopropyl]benzenesulfonic acid, 2-methoxy-5-[3-[[5-[ sulphonyl]-2- phenyl]amino]-1,3-dioxopropyl]benzenesulphonicacid, 2-methoxy-5-(2-{[5-(methylsulfamoyl)-2-(octadecyloxy)phenyl]carbamoyl}acetyl)benzene-1-sulfonic acid
| Molecular Formula | C35H54N2O9S2 |
|---|---|
| Molecular Weight | 710.33 g/mol |
| LogP | 7.7018 |
| Topological Polar Surface Area | 165.17 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 26 |
| Exact Mass | 710.3271 |
| Heavy Atoms | 48 |
| Complexity | 1509.9009 |
Chemical Identifiers
| CAS Number | 97552-65-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC)NC(=O)CC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)O |
Product Overview
EINECS 307-118-4 (CAS 97552-65-3), with molecular formula C35H54N2O9S2 and molecular weight 710.33 g/mol. IUPAC: 2-methoxy-5-[3-[5-(methylsulfamoyl)-2-octadecoxyanilino]-3-oxopropanoyl]benzenesulfonic acid.
Chemical Property Profile of EINECS 307-118-4
Property Insights of EINECS 307-118-4
The XLogP value of 7.7018 indicates that EINECS 307-118-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.17 Ų indicates high polarity, suggesting EINECS 307-118-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 307-118-4 has 3 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 EINECS 307-118-4?
The CAS number of EINECS 307-118-4 is 97552-65-3.
What is the molecular formula of EINECS 307-118-4?
The molecular formula of EINECS 307-118-4 is C35H54N2O9S2.
What is the molecular weight of EINECS 307-118-4?
The molecular weight of EINECS 307-118-4 is 710.33 g/mol.
Where can I buy EINECS 307-118-4?
You can request a quote for EINECS 307-118-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 307-118-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 307-118-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.