RefChem:118756
TL;DR: RefChem:118756 (CAS 63148-87-8) is a chemical compound with molecular formula C24H24Cl2N2O5S and molecular weight 522.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-chloro-2-[2-[(5-chloro-3-ethyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate
Also Known As: Benzoxazolium, 5-chloro-2-[2-[(5-chloro-3-ethyl-2(3H)-benzoxazolylidene)methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, Benzoxazolium, 5-chloro-2-(2-((5-chloro-3-ethyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, Benzoxazolium, 5-chloro-2-(2-((5-chloro-3-ethyl-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt, 3-[5-chloro-2-[2-[(5-chloro-3-ethyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate, 5-Chloro-2-(2-((5-chloro-3-ethyl-3H-benzoxazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzoxazolium
| Molecular Formula | C24H24Cl2N2O5S |
|---|---|
| Molecular Weight | 522.08 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.0783 |
| Heavy Atoms | 34 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 63148-87-8 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)Cl)CCCS(=O)(=O)[O-])C=C3N(C4=C(O3)C=CC(=C4)Cl)CC |
| InChIKey | XTSMIHWGFVIPIR-UHFFFAOYSA-N |
Product Overview
RefChem:118756 (CAS 63148-87-8), with molecular formula C24H24Cl2N2O5S and molecular weight 522.08 g/mol. IUPAC: 3-[5-chloro-2-[2-[(5-chloro-3-ethyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoxazol-3-ium-3-yl]propane-1-sulfonate.
Chemical Property Profile of RefChem:118756
Property Insights of RefChem:118756
The XLogP value of 6.3 indicates that RefChem:118756 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:118756. Following Lipinski's Rule of Five, RefChem:118756 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118756?
The CAS number of RefChem:118756 is 63148-87-8.
What is the molecular formula of RefChem:118756?
The molecular formula of RefChem:118756 is C24H24Cl2N2O5S.
What is the molecular weight of RefChem:118756?
The molecular weight of RefChem:118756 is 522.08 g/mol.
Where can I buy RefChem:118756?
You can request a quote for RefChem:118756 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118756?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118756 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.