4-N,N-二甲氨基苯乙酸
TL;DR: 4-N,N-二甲氨基苯乙酸 (CAS 17078-28-3) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,N-二甲氨基苯乙酸
2-[4-(dimethylamino)phenyl]acetic acid
Also Known As: 4-(Dimethylamino)phenylacetic acid, Dmapaa, 2-(4-(Dimethylamino)phenyl)acetic acid, 2-[4-(dimethylamino)phenyl]acetic acid, [4-(Dimethylamino)phenyl]acetic acid
| Molecular Formula | C10H13NO2 |
|---|---|
| Molecular Weight | 179.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 17078-28-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)CC(=O)O |
| InChIKey | KQGHTOZUPICELS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-N,N-二甲氨基苯乙酸 (CAS 17078-28-3), with molecular formula C10H13NO2 and molecular weight 179.09 g/mol. IUPAC: 2-[4-(dimethylamino)phenyl]acetic acid.
Chemical Property Profile of 4-N,N-二甲氨基苯乙酸
Property Insights of 4-N,N-二甲氨基苯乙酸
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N,N-二甲氨基苯乙酸. With a topological polar surface area (TPSA) of 40.5 Ų, 4-N,N-二甲氨基苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-N,N-二甲氨基苯乙酸 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-N,N-二甲氨基苯乙酸?
The CAS number of 4-N,N-二甲氨基苯乙酸 is 17078-28-3.
What is the molecular formula of 4-N,N-二甲氨基苯乙酸?
The molecular formula of 4-N,N-二甲氨基苯乙酸 is C10H13NO2.
What is the molecular weight of 4-N,N-二甲氨基苯乙酸?
The molecular weight of 4-N,N-二甲氨基苯乙酸 is 179.09 g/mol.
Where can I buy 4-N,N-二甲氨基苯乙酸?
You can request a quote for 4-N,N-二甲氨基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-N,N-二甲氨基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4-N,N-二甲氨基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.