布西丁
TL;DR: 布西丁 (CAS 1083-57-4) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
布西丁
N-(4-ethoxyphenyl)-3-hydroxybutanamide
Also Known As: Bucetin, Betadid, Bucetine, Bucetinum, Bucetina
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 1083-57-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CC(C)O |
| InChIKey | LIAWQASKBFCRNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
布西丁 (CAS 1083-57-4), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: N-(4-ethoxyphenyl)-3-hydroxybutanamide.
Chemical Property Profile of 布西丁
Property Insights of 布西丁
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 布西丁. With a topological polar surface area (TPSA) of 58.6 Ų, 布西丁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 布西丁 has 2 hydrogen bond donor(s) and 3 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 布西丁?
The CAS number of 布西丁 is 1083-57-4.
What is the molecular formula of 布西丁?
The molecular formula of 布西丁 is C12H17NO3.
What is the molecular weight of 布西丁?
The molecular weight of 布西丁 is 223.12 g/mol.
Where can I buy 布西丁?
You can request a quote for 布西丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 布西丁?
Yes, KEHONG BIO provides custom synthesis services for 布西丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.