1,2,3,4-四氢喹啉丙酸
TL;DR: 1,2,3,4-四氢喹啉丙酸 (CAS 91641-02-0) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4-四氢喹啉丙酸
3-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
Also Known As: Quinolinepropionic acid, 1,2,3,4-tetrahydro-, 3-(1,2,3,4-tetrahydroquinolin-1-yl)propanoic acid, 1,2,3,4-Tetrahydroquinolinepropionic acid, TimTec1_003341, 1(2h)-quinolinepropanoic acid, 3,4-dihydro-
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 91641-02-0 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)CCC(=O)O |
| InChIKey | BHSFGROFSZRPCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3,4-四氢喹啉丙酸 (CAS 91641-02-0), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: 3-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid.
Chemical Property Profile of 1,2,3,4-四氢喹啉丙酸
Property Insights of 1,2,3,4-四氢喹啉丙酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-四氢喹啉丙酸. With a topological polar surface area (TPSA) of 40.5 Ų, 1,2,3,4-四氢喹啉丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4-四氢喹啉丙酸 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 1,2,3,4-四氢喹啉丙酸?
The CAS number of 1,2,3,4-四氢喹啉丙酸 is 91641-02-0.
What is the molecular formula of 1,2,3,4-四氢喹啉丙酸?
The molecular formula of 1,2,3,4-四氢喹啉丙酸 is C12H15NO2.
What is the molecular weight of 1,2,3,4-四氢喹啉丙酸?
The molecular weight of 1,2,3,4-四氢喹啉丙酸 is 205.11 g/mol.
Where can I buy 1,2,3,4-四氢喹啉丙酸?
You can request a quote for 1,2,3,4-四氢喹啉丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-四氢喹啉丙酸?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-四氢喹啉丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.