C30H30N2O4SSe
TL;DR: C30H30N2O4SSe (CAS 76213-48-4) is a chemical compound with molecular formula C30H30N2O4SSe and molecular weight 594.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonate
Also Known As: Benzoxazolium, 3-methyl-5-phenyl-2-[2-[[3-(3-sulfobutyl)-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-, inner salt, 3-methyl-5-phenyl-2-[2-[[3-(3-sulphonatobutyl)-3H-benzoselenazol-2-ylidene]methyl]but-1-enyl]benzoxazolium, Benzoxazolium, 3-methyl-5-phenyl-2-(2-((3-(3-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)-1-buten-1-yl)-, inner salt, Benzoxazolium, 3-methyl-5-phenyl-2-(2-((3-(3-sulfobutyl)-2(3H)-benzoselenazolylidene)methyl)-1-butenyl)-, inner salt, Benzoxazolium,3-methyl-5-phenyl-2-[2-[[3-(3-sulfobutyl)-2(3H)-benzoselenazolylidene]methyl]-1-buten-1-yl]-,inner salt
| Molecular Formula | C30H30N2O4SSe |
|---|---|
| Molecular Weight | 594.11 g/mol |
| LogP | 5.3387 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 594.10913 |
| Heavy Atoms | 38 |
| Complexity | 960.0 |
Chemical Identifiers
| CAS Number | 76213-48-4 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=CC=CC=C2[Se]1)CCC(C)S(=O)(=O)[O-])C=C3N(C4=C(O3)C=CC(=C4)C5=CC=CC=C5)C |
| InChIKey | QDAWKUJXWZSGKT-UHFFFAOYSA-N |
Product Overview
C30H30N2O4SSe (CAS 76213-48-4), with molecular formula C30H30N2O4SSe and molecular weight 594.11 g/mol. IUPAC: 4-[2-[2-[(3-methyl-5-phenyl-1,3-benzoxazol-2-ylidene)methyl]but-1-enyl]-1,3-benzoselenazol-3-ium-3-yl]butane-2-sulfonate.
Chemical Property Profile of C30H30N2O4SSe
Property Insights of C30H30N2O4SSe
The XLogP value of 5.3387 indicates that C30H30N2O4SSe is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C30H30N2O4SSe. Following Lipinski's Rule of Five, C30H30N2O4SSe 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 C30H30N2O4SSe?
The CAS number of C30H30N2O4SSe is 76213-48-4.
What is the molecular formula of C30H30N2O4SSe?
The molecular formula of C30H30N2O4SSe is C30H30N2O4SSe.
What is the molecular weight of C30H30N2O4SSe?
The molecular weight of C30H30N2O4SSe is 594.11 g/mol.
Where can I buy C30H30N2O4SSe?
You can request a quote for C30H30N2O4SSe directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C30H30N2O4SSe?
Yes, KEHONG BIO provides custom synthesis services for C30H30N2O4SSe and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.