4-((Tert-butylamino)methyl)phenyl propionate hydrochloride
TL;DR: 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride (CAS 462599-72-0) is a chemical compound with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(tert-butylamino)methyl]phenyl] propanoate;hydrochloride
Also Known As: [4-[(tert-butylamino)methyl]phenyl] Propanoate Hydrochloride, 4-[(TERT-BUTYLAMINO)METHYL]PHENYL PROPANOATE HYDROCHLORIDE, 4-((tert-butylamino)methyl)phenyl propionate hydrochloride, [4-[(tert-butylamino)methyl]phenyl] propanoate;hydrochloride
| Molecular Formula | C14H22ClNO2 |
|---|---|
| Molecular Weight | 271.13 g/mol |
| LogP | 3.3119 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.1339 |
| Heavy Atoms | 18 |
| Complexity | 368.37555 |
Chemical Identifiers
| CAS Number | 462599-72-0 |
|---|---|
| SMILES | CCC(=O)OC1=CC=C(C=C1)CNC(C)(C)C.Cl |
Product Overview
4-((Tert-butylamino)methyl)phenyl propionate hydrochloride (CAS 462599-72-0), with molecular formula C14H22ClNO2 and molecular weight 271.13 g/mol. IUPAC: [4-[(tert-butylamino)methyl]phenyl] propanoate;hydrochloride.
Chemical Property Profile of 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride
Property Insights of 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride
The XLogP value of 3.3119 indicates that 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride has 1 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 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride?
The CAS number of 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride is 462599-72-0.
What is the molecular formula of 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride?
The molecular formula of 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride is C14H22ClNO2.
What is the molecular weight of 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride?
The molecular weight of 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride is 271.13 g/mol.
Where can I buy 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride?
You can request a quote for 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-((Tert-butylamino)methyl)phenyl propionate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.