丁酰亚氨酸乙酯盐酸盐
TL;DR: 丁酰亚氨酸乙酯盐酸盐 (CAS 2208-08-4) is a chemical compound with molecular formula C6H14ClNO and molecular weight 151.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁酰亚氨酸乙酯盐酸盐
1-ethoxybutylideneazanium chloride
Also Known As: 1-ethoxybutylideneazanium;chloride, Ethyl butyrimidate hydrochloride, 1-ethoxybutylideneazanium chloride, BUTYRIMIDIC ACID, ETHYL ESTER, HYDROCHLORIDE, Butanimidic acid, ethyl ester, hydrochloride
| Molecular Formula | C6H14ClNO |
|---|---|
| Molecular Weight | 151.08 g/mol |
| LogP | -3.02 |
| Topological Polar Surface Area | 34.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 151.07639 |
| Heavy Atoms | 9 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 2208-08-4 |
|---|---|
| SMILES | CCCC(=[NH2+])OCC.[Cl-] |
| InChIKey | YGBFFMMKLWVKGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁酰亚氨酸乙酯盐酸盐 (CAS 2208-08-4), with molecular formula C6H14ClNO and molecular weight 151.08 g/mol. IUPAC: 1-ethoxybutylideneazanium chloride.
Chemical Property Profile of 丁酰亚氨酸乙酯盐酸盐
Property Insights of 丁酰亚氨酸乙酯盐酸盐
The XLogP value of -3.02 indicates that 丁酰亚氨酸乙酯盐酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.8 Ų, 丁酰亚氨酸乙酯盐酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁酰亚氨酸乙酯盐酸盐 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 丁酰亚氨酸乙酯盐酸盐?
The CAS number of 丁酰亚氨酸乙酯盐酸盐 is 2208-08-4.
What is the molecular formula of 丁酰亚氨酸乙酯盐酸盐?
The molecular formula of 丁酰亚氨酸乙酯盐酸盐 is C6H14ClNO.
What is the molecular weight of 丁酰亚氨酸乙酯盐酸盐?
The molecular weight of 丁酰亚氨酸乙酯盐酸盐 is 151.08 g/mol.
Where can I buy 丁酰亚氨酸乙酯盐酸盐?
You can request a quote for 丁酰亚氨酸乙酯盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁酰亚氨酸乙酯盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 丁酰亚氨酸乙酯盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.