4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester
TL;DR: 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester (CAS 167638-53-1) is a chemical compound with molecular formula C41H45N3O7S and molecular weight 723.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[5-[5-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1-ethyl-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate
Also Known As: 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester, 4-[2-[5-[5-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1-ethyl-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate
| Molecular Formula | C41H45N3O7S |
|---|---|
| Molecular Weight | 723.30 g/mol |
| LogP | 6.5051 |
| Topological Polar Surface Area | 127.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 723.29785 |
| Heavy Atoms | 52 |
| Complexity | 2178.0957 |
Chemical Identifiers
| CAS Number | 167638-53-1 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)CC(=O)ON3C(=O)CCC3=O)C(C1=CC=CC=CC4=[N+](C5=C(C4(C)C)C6=CC=CC=C6C=C5)CCCCS(=O)(=O)[O-])(C)C |
Product Overview
4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester (CAS 167638-53-1), with molecular formula C41H45N3O7S and molecular weight 723.30 g/mol. IUPAC: 4-[2-[5-[5-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1-ethyl-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate.
Chemical Property Profile of 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester
Property Insights of 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester
The XLogP value of 6.5051 indicates that 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester. Following Lipinski's Rule of Five, 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester has 0 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 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester?
The CAS number of 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester is 167638-53-1.
What is the molecular formula of 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester?
The molecular formula of 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester is C41H45N3O7S.
What is the molecular weight of 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester?
The molecular weight of 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester is 723.30 g/mol.
Where can I buy 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester?
You can request a quote for 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Benzo-1'-ethyl-3,3,3',3'-tetramethyl-1-(4-sulfobutyl)indodicarbocyanin-5'-acetic acid N-succinimidyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.