C27H31N9O4
TL;DR: C27H31N9O4 (CAS 487036-60-2) is a chemical compound with molecular formula C27H31N9O4 and molecular weight 545.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3-methoxy-4-((4-methylbenzyl)oxy)benzylidene)-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-{3-methoxy-4-[(4-methylbenzyl)oxy]phenyl}methylidene]-5-(piperidin-1-ylmethyl)-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C27H31N9O4 |
|---|---|
| Molecular Weight | 545.25 g/mol |
| LogP | 2.87832 |
| Topological Polar Surface Area | 158.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 545.2499 |
| Heavy Atoms | 40 |
| Complexity | 1473.6531 |
Chemical Identifiers
| CAS Number | 487036-60-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=N/NC(=O)C3=C(N(N=N3)C4=NON=C4N)CN5CCCCC5)OC |
Product Overview
C27H31N9O4 (CAS 487036-60-2), with molecular formula C27H31N9O4 and molecular weight 545.25 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-5-(piperidin-1-ylmethyl)triazole-4-carboxamide.
Chemical Property Profile of C27H31N9O4
Property Insights of C27H31N9O4
The XLogP value of 2.87832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C27H31N9O4. The TPSA of 158.81 Ų indicates high polarity, suggesting C27H31N9O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C27H31N9O4 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H31N9O4?
The CAS number of C27H31N9O4 is 487036-60-2.
What is the molecular formula of C27H31N9O4?
The molecular formula of C27H31N9O4 is C27H31N9O4.
What is the molecular weight of C27H31N9O4?
The molecular weight of C27H31N9O4 is 545.25 g/mol.
Where can I buy C27H31N9O4?
You can request a quote for C27H31N9O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H31N9O4?
Yes, KEHONG BIO provides custom synthesis services for C27H31N9O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.