RefChem:296315
TL;DR: RefChem:296315 (CAS 78778-28-6) is a chemical compound with molecular formula C19H27FN2O4 and molecular weight 366.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,4aR,8aR)-2-[3-(4-fluorophenoxy)propyl]-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]carbamic acid
Also Known As: 4-Carbamoyloxy-1-(3-(4-fluorophenoxy)propyl)-trans-decahydroquinoline (axial form), 4-Quinolinol, decahydro-1-(3-(4-fluorophenoxy)propyl)-, carbamate (ester), (4-alpha,4a-beta,8a-alpha)-, {2-[3-(4-Fluorophenoxy)propyl]-4-hydroxyoctahydroquinolin-1(2H)-yl}carbamic acid, [(4S,4aR,8aR)-2-[3-(4-fluorophenoxy)propyl]-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]carbamic acid, [(4S,4aR,8aR)-2-[3-(4-Fluorophenoxy)propyl]-4-hydroxyoctahydroquinolin-1(2H)-yl]carbamic acid
| Molecular Formula | C19H27FN2O4 |
|---|---|
| Molecular Weight | 366.20 g/mol |
| LogP | 3.1613 |
| Topological Polar Surface Area | 82.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.1955 |
| Heavy Atoms | 26 |
| Complexity | 597.70685 |
Chemical Identifiers
| CAS Number | 78778-28-6 |
|---|---|
| SMILES | C1CC[C@@H]2[C@@H](C1)[C@H](CC(N2NC(=O)O)CCCOC3=CC=C(C=C3)F)O |
Product Overview
RefChem:296315 (CAS 78778-28-6), with molecular formula C19H27FN2O4 and molecular weight 366.20 g/mol. IUPAC: [(4S,4aR,8aR)-2-[3-(4-fluorophenoxy)propyl]-4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]carbamic acid.
Chemical Property Profile of RefChem:296315
Property Insights of RefChem:296315
The XLogP value of 3.1613 indicates that RefChem:296315 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.03 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:296315. Following Lipinski's Rule of Five, RefChem:296315 has 3 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 RefChem:296315?
The CAS number of RefChem:296315 is 78778-28-6.
What is the molecular formula of RefChem:296315?
The molecular formula of RefChem:296315 is C19H27FN2O4.
What is the molecular weight of RefChem:296315?
The molecular weight of RefChem:296315 is 366.20 g/mol.
Where can I buy RefChem:296315?
You can request a quote for RefChem:296315 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:296315?
Yes, KEHONG BIO provides custom synthesis services for RefChem:296315 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.