Ethyl butyrimidate
TL;DR: Ethyl butyrimidate (CAS 998-97-0) is a chemical compound with molecular formula C6H13NO and molecular weight 115.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl butanimidate
Also Known As: ethyl butyrimidate, ethyl butanimidate, ethylbutyrimidate, O-ethyl butyrimidate, ethyl butaneimidate
| Molecular Formula | C6H13NO |
|---|---|
| Molecular Weight | 115.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 115.09972 |
| Heavy Atoms | 8 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 998-97-0 |
|---|---|
| SMILES | CCCC(=N)OCC |
| InChIKey | JEZVIUQRUWOXRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl butyrimidate (CAS 998-97-0), with molecular formula C6H13NO and molecular weight 115.10 g/mol. IUPAC: ethyl butanimidate.
Chemical Property Profile of Ethyl butyrimidate
Property Insights of Ethyl butyrimidate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl butyrimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Ethyl butyrimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl butyrimidate has 1 hydrogen bond donor(s) and 2 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 butyrimidate?
The CAS number of Ethyl butyrimidate is 998-97-0.
What is the molecular formula of Ethyl butyrimidate?
The molecular formula of Ethyl butyrimidate is C6H13NO.
What is the molecular weight of Ethyl butyrimidate?
The molecular weight of Ethyl butyrimidate is 115.10 g/mol.
Where can I buy Ethyl butyrimidate?
You can request a quote for Ethyl butyrimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl butyrimidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl butyrimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.