CR-3465游离酸
TL;DR: CR-3465游离酸 (CAS 353798-90-0) is a chemical compound with molecular formula C29H22FN3O4 and molecular weight 495.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
CR-3465游离酸
(2S)-3-[4-[(7-fluoroquinolin-2-yl)methoxy]phenyl]-2-(quinoline-2-carbonylamino)propanoic acid
Also Known As: CR-3465 free acid, O-((7-Fluoro-2-quinolinyl)methyl)-N-(2-quinolinylcarbonyl)-L-tyrosine, L-Tyrosine, O-((7-fluoro-2-quinolinyl)methyl)-N-(2-quinolinylcarbonyl)-, 3-[4-[(7-fluoroquinolin-2-yl)methoxy]phenyl]-2-(quinoline-2-carbonylamino)propanoic Acid
| Molecular Formula | C29H22FN3O4 |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 4.9268 |
| Topological Polar Surface Area | 101.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.15942 |
| Heavy Atoms | 37 |
| Complexity | 1604.8125 |
Chemical Identifiers
| CAS Number | 353798-90-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C(=O)N[C@@H](CC3=CC=C(C=C3)OCC4=NC5=C(C=CC(=C5)F)C=C4)C(=O)O |
Product Overview
CR-3465游离酸 (CAS 353798-90-0), with molecular formula C29H22FN3O4 and molecular weight 495.16 g/mol. IUPAC: (2S)-3-[4-[(7-fluoroquinolin-2-yl)methoxy]phenyl]-2-(quinoline-2-carbonylamino)propanoic acid.
Chemical Property Profile of CR-3465游离酸
Property Insights of CR-3465游离酸
The XLogP value of 4.9268 indicates that CR-3465游离酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.41 Ų falls within the moderate polarity range, balancing permeability and solubility for CR-3465游离酸. Following Lipinski's Rule of Five, CR-3465游离酸 has 2 hydrogen bond donor(s) and 5 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 CR-3465游离酸?
The CAS number of CR-3465游离酸 is 353798-90-0.
What is the molecular formula of CR-3465游离酸?
The molecular formula of CR-3465游离酸 is C29H22FN3O4.
What is the molecular weight of CR-3465游离酸?
The molecular weight of CR-3465游离酸 is 495.16 g/mol.
Where can I buy CR-3465游离酸?
You can request a quote for CR-3465游离酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CR-3465游离酸?
Yes, KEHONG BIO provides custom synthesis services for CR-3465游离酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.