RefChem:424637
TL;DR: RefChem:424637 (CAS 478251-27-3) 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.
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide
Also Known As: SALOR-INT L212369-1EA, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-(3-ETHOXY-4-((4-METHYLBENZYL)OX Y)PHENYL)METHYLIDENE)-4-(1-PYRROLIDINYLMETHYL)-1H-1,2,3-TRIAZOLE-5-CARBO HYDRAZIDE, 1-(4-Amino-1,2,5-oxadiazol-3-YL)-N'-((E)-{3-ethoxy-4-[(4-methylbenzyl)OX Y]phenyl}methylidene)-4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-5-carbo hydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((E)-{3-ethoxy-4-[(4-methylbenzyl)oxy]phenyl}methylidene)-4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazole-5-carbohydrazide, 631-786-9
| 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 | 11 |
| Exact Mass | 545.2499 |
| Heavy Atoms | 40 |
| Complexity | 1473.6531 |
Chemical Identifiers
| CAS Number | 478251-27-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(N=NN2C3=NON=C3N)CN4CCCC4)OCC5=CC=C(C=C5)C |
Product Overview
RefChem:424637 (CAS 478251-27-3), with molecular formula C27H31N9O4 and molecular weight 545.25 g/mol. IUPAC: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)triazole-4-carboxamide.
Chemical Property Profile of RefChem:424637
Property Insights of RefChem:424637
The XLogP value of 2.87832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:424637. The TPSA of 158.81 Ų indicates high polarity, suggesting RefChem:424637 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:424637 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 RefChem:424637?
The CAS number of RefChem:424637 is 478251-27-3.
What is the molecular formula of RefChem:424637?
The molecular formula of RefChem:424637 is C27H31N9O4.
What is the molecular weight of RefChem:424637?
The molecular weight of RefChem:424637 is 545.25 g/mol.
Where can I buy RefChem:424637?
You can request a quote for RefChem:424637 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:424637?
Yes, KEHONG BIO provides custom synthesis services for RefChem:424637 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.