C23H28Cl2N4O5S2
TL;DR: C23H28Cl2N4O5S2 (CAS 71130-53-5) is a chemical compound with molecular formula C23H28Cl2N4O5S2 and molecular weight 574.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5,6-dichloro-2-[2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)ethylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonic acid
Also Known As: 1H-Benzimidazole-1-butanesulfonic acid, 5,6-dichloro-2-[(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)ethylidene]-3-ethyl-2,3-dihydro-, 1H-Benzimidazole-1-butanesulfonic acid, 5,6-dichloro-2-((1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)ethylidene)-3-ethyl-2,3-dihydro-, 1H-Benzimidazole-1-butanesulfonic acid, 5,6-dichloro-2-(2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)ethylidene)-3-ethyl-2,3-dihydro-, 5-(2-(5,6-Dichloro-1-ethyl-3-(4-sulfobutyl)-2-benzimidazolinylidene)ethylidene)-1,3-diethyl-2-thiobarbituric acid
| Molecular Formula | C23H28Cl2N4O5S2 |
|---|---|
| Molecular Weight | 574.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 574.0878 |
| Heavy Atoms | 36 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 71130-53-5 |
|---|---|
| SMILES | CCN1C2=CC(=C(C=C2N(C1=CC=C3C(=O)N(C(=S)N(C3=O)CC)CC)CCCCS(=O)(=O)O)Cl)Cl |
| InChIKey | KHDKWJBBMBVSON-UHFFFAOYSA-N |
Product Overview
C23H28Cl2N4O5S2 (CAS 71130-53-5), with molecular formula C23H28Cl2N4O5S2 and molecular weight 574.09 g/mol. IUPAC: 4-[5,6-dichloro-2-[2-(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)ethylidene]-3-ethylbenzimidazol-1-yl]butane-1-sulfonic acid.
Chemical Property Profile of C23H28Cl2N4O5S2
Property Insights of C23H28Cl2N4O5S2
The XLogP value of 4.3 indicates that C23H28Cl2N4O5S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting C23H28Cl2N4O5S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C23H28Cl2N4O5S2 has 1 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 C23H28Cl2N4O5S2?
The CAS number of C23H28Cl2N4O5S2 is 71130-53-5.
What is the molecular formula of C23H28Cl2N4O5S2?
The molecular formula of C23H28Cl2N4O5S2 is C23H28Cl2N4O5S2.
What is the molecular weight of C23H28Cl2N4O5S2?
The molecular weight of C23H28Cl2N4O5S2 is 574.09 g/mol.
Where can I buy C23H28Cl2N4O5S2?
You can request a quote for C23H28Cl2N4O5S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H28Cl2N4O5S2?
Yes, KEHONG BIO provides custom synthesis services for C23H28Cl2N4O5S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.