布他米酯
TL;DR: 布他米酯 (CAS 18109-80-3) is a chemical compound with molecular formula C18H29NO3 and molecular weight 307.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
布他米酯
2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate
Also Known As: Butamirate, Butamyrate, Butamirato, Butamiratum, Codimin
| Molecular Formula | C18H29NO3 |
|---|---|
| Molecular Weight | 307.21 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 307.21475 |
| Heavy Atoms | 22 |
| Complexity | 286.0 |
| Solubility | 41.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 18109-80-3 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)OCCOCCN(CC)CC |
| InChIKey | DDVUMDPCZWBYRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
布他米酯 (CAS 18109-80-3), with molecular formula C18H29NO3 and molecular weight 307.21 g/mol. IUPAC: 2-[2-(diethylamino)ethoxy]ethyl 2-phenylbutanoate.
Chemical Property Profile of 布他米酯
Property Insights of 布他米酯
The XLogP value of 3.3 indicates that 布他米酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 布他米酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 布他米酯 has 0 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 布他米酯?
The CAS number of 布他米酯 is 18109-80-3.
What is the molecular formula of 布他米酯?
The molecular formula of 布他米酯 is C18H29NO3.
What is the molecular weight of 布他米酯?
The molecular weight of 布他米酯 is 307.21 g/mol.
Where can I buy 布他米酯?
You can request a quote for 布他米酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 布他米酯?
Yes, KEHONG BIO provides custom synthesis services for 布他米酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.