C27H31N4O4.ClO4
TL;DR: C27H31N4O4.ClO4 (CAS 68239-68-9) is a chemical compound with molecular formula C27H31ClN4O8 and molecular weight 574.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[2-[(5-acetamido-3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzoxazol-5-yl]acetamide perchlorate
Also Known As: Benzoxazolium, 5-(acetylamino)-2-[2-[[5-(acetylamino)-3-ethyl-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-ethyl-, perchlorate, 2-(2-Ethyl-3-(5-(acetylamino)-3-ethylbenzoxazolinylidene)propenyl-5-(acetylamino)-3-ethylbenzoxazolium perchlorate, 5-(ACETAMIDO)-2-[2-[[5-(ACETAMIDO)-3-ETHYL-3H-BENZOXAZOL-2-YLIDENE]METHYL]BUT-1-ENYL]-3-ETHYLBENZOXAZOLIUM PERCHLORATE, Benzoxazolium, 5-(acetylamino)-2-(2-((5-(acetylamino)-3-ethyl-2(3H)-benzoxazolylidene)methyl)-1-buten-1-yl)-3-ethyl-, perchlorate (1:1), Benzoxazolium, 5-(acetylamino)-2-(2-((5-(acetylamino)-3-ethyl-2(3H)-benzoxazolylidene)methyl)-1-butenyl)-3-ethyl-, perchlorate
| Molecular Formula | C27H31ClN4O8 |
|---|---|
| Molecular Weight | 574.18 g/mol |
| LogP | 0.45 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 574.18304 |
| Heavy Atoms | 40 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 68239-68-9 |
|---|---|
| SMILES | CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)NC(=O)C)CC)C=C3N(C4=C(O3)C=CC(=C4)NC(=O)C)CC.[O-]Cl(=O)(=O)=O |
| InChIKey | MATDQNMRZOTTCQ-UHFFFAOYSA-N |
Product Overview
C27H31N4O4.ClO4 (CAS 68239-68-9), with molecular formula C27H31ClN4O8 and molecular weight 574.18 g/mol. IUPAC: N-[2-[2-[(5-acetamido-3-ethyl-1,3-benzoxazol-3-ium-2-yl)methylidene]butylidene]-3-ethyl-1,3-benzoxazol-5-yl]acetamide perchlorate.
Chemical Property Profile of C27H31N4O4.ClO4
Property Insights of C27H31N4O4.ClO4
The XLogP value of 0.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C27H31N4O4.ClO4. The TPSA of 162.0 Ų indicates high polarity, suggesting C27H31N4O4.ClO4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C27H31N4O4.ClO4 has 2 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 C27H31N4O4.ClO4?
The CAS number of C27H31N4O4.ClO4 is 68239-68-9.
What is the molecular formula of C27H31N4O4.ClO4?
The molecular formula of C27H31N4O4.ClO4 is C27H31ClN4O8.
What is the molecular weight of C27H31N4O4.ClO4?
The molecular weight of C27H31N4O4.ClO4 is 574.18 g/mol.
Where can I buy C27H31N4O4.ClO4?
You can request a quote for C27H31N4O4.ClO4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H31N4O4.ClO4?
Yes, KEHONG BIO provides custom synthesis services for C27H31N4O4.ClO4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.