C32H34N2O8S2
TL;DR: C32H34N2O8S2 (CAS 64722-50-5) is a chemical compound with molecular formula C32H34N2O8S2 and molecular weight 638.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-methyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate
Also Known As: Benzoxazolium, 5-methyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, Benzoxazolium, 5-methyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, Benzoxazolium, 5-methyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt, Benzoxazolium, 5-methyl-2-(2-((5-phenyl-3-(3-sulfopropyl)-2-benzoxazolinylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, hydroxide, inner salt, Benzoxazolium, 5-methyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, hydroxide, inner salt
| Molecular Formula | C32H34N2O8S2 |
|---|---|
| Molecular Weight | 638.18 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 638.17566 |
| Heavy Atoms | 44 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 64722-50-5 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4N(C5=C(O4)C=CC(=C5)C)CCCS(=O)(=O)[O-] |
| InChIKey | NFYQVUOVNAWSLM-UHFFFAOYSA-N |
Product Overview
C32H34N2O8S2 (CAS 64722-50-5), with molecular formula C32H34N2O8S2 and molecular weight 638.18 g/mol. IUPAC: 3-[5-methyl-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]propane-1-sulfonate.
Chemical Property Profile of C32H34N2O8S2
Property Insights of C32H34N2O8S2
The XLogP value of 5.9 indicates that C32H34N2O8S2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting C32H34N2O8S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C32H34N2O8S2 has 1 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 C32H34N2O8S2?
The CAS number of C32H34N2O8S2 is 64722-50-5.
What is the molecular formula of C32H34N2O8S2?
The molecular formula of C32H34N2O8S2 is C32H34N2O8S2.
What is the molecular weight of C32H34N2O8S2?
The molecular weight of C32H34N2O8S2 is 638.18 g/mol.
Where can I buy C32H34N2O8S2?
You can request a quote for C32H34N2O8S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C32H34N2O8S2?
Yes, KEHONG BIO provides custom synthesis services for C32H34N2O8S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.