ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate
TL;DR: ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate (CAS 54996-75-7) is a chemical compound with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate
Also Known As: (4-Chlorophenylthio)acetonitrile, ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate, ethyl (E)-3-(1H-indazol-6-ylamino)-2-butenoate, 11T-0848, ethyl (2E)-3-[(1H-indazol-6-yl)amino]but-2-enoate
| Molecular Formula | C13H15N3O2 |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 2.4417 |
| Topological Polar Surface Area | 67.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.11642 |
| Heavy Atoms | 18 |
| Complexity | 586.6888 |
Chemical Identifiers
| CAS Number | 54996-75-7 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/NC1=CC2=C(C=C1)C=NN2 |
Product Overview
ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate (CAS 54996-75-7), with molecular formula C13H15N3O2 and molecular weight 245.12 g/mol. IUPAC: ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate.
Chemical Property Profile of ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate
Property Insights of ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate
The XLogP value of 2.4417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate. The TPSA of 67.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate. Following Lipinski's Rule of Five, ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate has 2 hydrogen bond donor(s) and 4 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 ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate?
The CAS number of ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate is 54996-75-7.
What is the molecular formula of ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate?
The molecular formula of ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate is C13H15N3O2.
What is the molecular weight of ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate?
The molecular weight of ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate is 245.12 g/mol.
Where can I buy ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate?
You can request a quote for ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-3-(1H-indazol-6-ylamino)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.