EINECS 255-790-1
TL;DR: EINECS 255-790-1 (CAS 42381-20-4) is a chemical compound with molecular formula C50H71N5O6S and molecular weight 869.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[[3-[[2-(diethylamino)-5-(octadecylsulfamoyl)phenyl]carbamoyl]-4-hydroxynaphthalen-1-yl]diazenyl]benzoate
Also Known As: EINECS 255-790-1, Butyl 2-((3-(((2-(diethylamino)-5-((octadecylamino)sulphonyl)phenyl)amino)carbonyl)-4-hydroxy-1-naphthyl)azo)benzoate, Benzoic acid, 2-((3-(((2-(diethylamino)-5-((octadecylamino)sulfonyl)phenyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)azo)-, butyl ester, Benzoic acid,2-[2-[3-[[[2-(diethylamino)-5-[(octadecylamino)sulfonyl]phenyl]amino]carbonyl]-4-hydroxy-1-naphthalenyl]diazenyl]-,butyl ester, butyl2-[[3-[[[2- -5-[ sulphonyl]phenyl]amino]carbonyl]-4-hydroxy-1-naphthyl]azo]benzoate
| Molecular Formula | C50H71N5O6S |
|---|---|
| Molecular Weight | 869.51 g/mol |
| LogP | 13.556 |
| Topological Polar Surface Area | 149.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 30 |
| Exact Mass | 869.5125 |
| Heavy Atoms | 62 |
| Complexity | 2135.7417 |
Chemical Identifiers
| CAS Number | 42381-20-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCNS(=O)(=O)C1=CC(=C(C=C1)N(CC)CC)NC(=O)C2=C(C3=CC=CC=C3C(=C2)N=NC4=CC=CC=C4C(=O)OCCCC)O |
Product Overview
EINECS 255-790-1 (CAS 42381-20-4), with molecular formula C50H71N5O6S and molecular weight 869.51 g/mol. IUPAC: butyl 2-[[3-[[2-(diethylamino)-5-(octadecylsulfamoyl)phenyl]carbamoyl]-4-hydroxynaphthalen-1-yl]diazenyl]benzoate.
Chemical Property Profile of EINECS 255-790-1
Property Insights of EINECS 255-790-1
The XLogP value of 13.556 indicates that EINECS 255-790-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.76 Ų indicates high polarity, suggesting EINECS 255-790-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 255-790-1 has 3 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 EINECS 255-790-1?
The CAS number of EINECS 255-790-1 is 42381-20-4.
What is the molecular formula of EINECS 255-790-1?
The molecular formula of EINECS 255-790-1 is C50H71N5O6S.
What is the molecular weight of EINECS 255-790-1?
The molecular weight of EINECS 255-790-1 is 869.51 g/mol.
Where can I buy EINECS 255-790-1?
You can request a quote for EINECS 255-790-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 255-790-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 255-790-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.