RefChem:1072285
TL;DR: RefChem:1072285 (CAS 75536-07-1) is a chemical compound with molecular formula C17H23N5O6 and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;ethyl 4-hydrazinyl-5,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylate
Also Known As: 5,9-Iminocycloocta(c)pyridazine-11-carboxylic acid, 5,6,7,8,9,10-hexahydro-3-hydrazino-, ethyl ester, (E)-2-butenedioate (1:1), RefChem:1072285
| Molecular Formula | C17H23N5O6 |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 1.0822 |
| Topological Polar Surface Area | 167.97 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.16483 |
| Heavy Atoms | 28 |
| Complexity | 752.4049 |
Chemical Identifiers
| CAS Number | 75536-07-1 |
|---|---|
| SMILES | CCOC(=O)N1C2CCCC1C3=CC(=NN=C3C2)NN.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1072285 (CAS 75536-07-1), with molecular formula C17H23N5O6 and molecular weight 393.16 g/mol. IUPAC: (E)-but-2-enedioic acid;ethyl 4-hydrazinyl-5,6,13-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylate.
Chemical Property Profile of RefChem:1072285
Property Insights of RefChem:1072285
The XLogP value of 1.0822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1072285. The TPSA of 167.97 Ų indicates high polarity, suggesting RefChem:1072285 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1072285 has 4 hydrogen bond donor(s) and 8 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 RefChem:1072285?
The CAS number of RefChem:1072285 is 75536-07-1.
What is the molecular formula of RefChem:1072285?
The molecular formula of RefChem:1072285 is C17H23N5O6.
What is the molecular weight of RefChem:1072285?
The molecular weight of RefChem:1072285 is 393.16 g/mol.
Where can I buy RefChem:1072285?
You can request a quote for RefChem:1072285 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1072285?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1072285 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.