RefChem:79719
TL;DR: RefChem:79719 (CAS 29637-15-8) is a chemical compound with molecular formula C27H30Cl4N4O3S and molecular weight 630.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5,6-dichloro-2-[(E)-3-(5,6-dichloro-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-1-ium-1-yl]butane-2-sulfonate
Also Known As: EINECS 248-851-9, 5,6-Dichloro-2-(3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(3-sulphonatobutyl)-1H-benzimidazolium, 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propen-1-yl)-1-ethyl-3-(3-sulfobutyl)-, inner salt, 1H-Benzimidazolium, 5,6-dichloro-2-(3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl)-1-ethyl-3-(3-sulfobutyl)-, inner salt, 5,6-dichloro-2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-1-propenyl]-1-ethyl-3-(3-sulphonatobutyl)-1H-benzimidazolium
| Molecular Formula | C27H30Cl4N4O3S |
|---|---|
| Molecular Weight | 630.08 g/mol |
| LogP | 7.1071 |
| Topological Polar Surface Area | 72.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 630.0793 |
| Heavy Atoms | 39 |
| Complexity | 1544.8176 |
Chemical Identifiers
| CAS Number | 29637-15-8 |
|---|---|
| SMILES | CCN1C2=CC(=C(C=C2[N+](=C1/C=C/C=C3N(C4=CC(=C(C=C4N3CC)Cl)Cl)CC)CCC(C)S(=O)(=O)[O-])Cl)Cl |
Product Overview
RefChem:79719 (CAS 29637-15-8), with molecular formula C27H30Cl4N4O3S and molecular weight 630.08 g/mol. IUPAC: 4-[5,6-dichloro-2-[(E)-3-(5,6-dichloro-1,3-diethylbenzimidazol-2-ylidene)prop-1-enyl]-3-ethylbenzimidazol-1-ium-1-yl]butane-2-sulfonate.
Chemical Property Profile of RefChem:79719
Property Insights of RefChem:79719
The XLogP value of 7.1071 indicates that RefChem:79719 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.49 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:79719. Following Lipinski's Rule of Five, RefChem:79719 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79719?
The CAS number of RefChem:79719 is 29637-15-8.
What is the molecular formula of RefChem:79719?
The molecular formula of RefChem:79719 is C27H30Cl4N4O3S.
What is the molecular weight of RefChem:79719?
The molecular weight of RefChem:79719 is 630.08 g/mol.
Where can I buy RefChem:79719?
You can request a quote for RefChem:79719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79719?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.