E596-0745
TL;DR: E596-0745 (CAS 892767-55-4) is a chemical compound with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-ethylphenyl)-4-(7-oxo-8-propyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)butanamide
Also Known As: E596-0745, N-(3-ethylphenyl)-4-(5-oxo-4-propyl-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide, N-(3-ethylphenyl)-4-{7-oxo-8-propyl-5-thia-1,8,10,11-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),3,9,11-tetraen-12-yl}butanamide, N-(3-ethylphenyl)-4-(7-oxo-8-propyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)butanamide
| Molecular Formula | C22H25N5O2S |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 4.0395 |
| Topological Polar Surface Area | 81.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.17288 |
| Heavy Atoms | 30 |
| Complexity | 1253.6156 |
Chemical Identifiers
| CAS Number | 892767-55-4 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(C=CS2)N3C1=NN=C3CCCC(=O)NC4=CC=CC(=C4)CC |
Product Overview
E596-0745 (CAS 892767-55-4), with molecular formula C22H25N5O2S and molecular weight 423.17 g/mol. IUPAC: N-(3-ethylphenyl)-4-(7-oxo-8-propyl-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)butanamide.
Chemical Property Profile of E596-0745
Property Insights of E596-0745
The XLogP value of 4.0395 indicates that E596-0745 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.29 Ų falls within the moderate polarity range, balancing permeability and solubility for E596-0745. Following Lipinski's Rule of Five, E596-0745 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of E596-0745?
The CAS number of E596-0745 is 892767-55-4.
What is the molecular formula of E596-0745?
The molecular formula of E596-0745 is C22H25N5O2S.
What is the molecular weight of E596-0745?
The molecular weight of E596-0745 is 423.17 g/mol.
Where can I buy E596-0745?
You can request a quote for E596-0745 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E596-0745?
Yes, KEHONG BIO provides custom synthesis services for E596-0745 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.