布他卡因
TL;DR: 布他卡因 (CAS 149-16-6) is a chemical compound with molecular formula C18H30N2O2 and molecular weight 306.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
布他卡因
3-(dibutylamino)propyl 4-aminobenzoate
Also Known As: butacaine, Butacaina, Butacainum, Butelline, Butyn
| Molecular Formula | C18H30N2O2 |
|---|---|
| Molecular Weight | 306.23 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 306.23074 |
| Heavy Atoms | 22 |
| Complexity | 281.0 |
| Solubility | >46 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 149-16-6 |
|---|---|
| SMILES | CCCCN(CCCC)CCCOC(=O)C1=CC=C(C=C1)N |
| InChIKey | HQFWVSGBVLEQGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
布他卡因 (CAS 149-16-6), with molecular formula C18H30N2O2 and molecular weight 306.23 g/mol. IUPAC: 3-(dibutylamino)propyl 4-aminobenzoate.
Chemical Property Profile of 布他卡因
Property Insights of 布他卡因
The XLogP value of 4.5 indicates that 布他卡因 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.6 Ų, 布他卡因 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 布他卡因 has 1 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 布他卡因?
The CAS number of 布他卡因 is 149-16-6.
What is the molecular formula of 布他卡因?
The molecular formula of 布他卡因 is C18H30N2O2.
What is the molecular weight of 布他卡因?
The molecular weight of 布他卡因 is 306.23 g/mol.
Where can I buy 布他卡因?
You can request a quote for 布他卡因 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 布他卡因?
Yes, KEHONG BIO provides custom synthesis services for 布他卡因 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.