UPCMLD0ENAT0513-8524:001
TL;DR: UPCMLD0ENAT0513-8524:001 (CAS 379246-66-9) is a chemical compound with molecular formula C26H25FN2O2 and molecular weight 416.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-fluorophenyl)methoxy]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: UPCMLD0ENAT0513-8524:001, AF-399/40862792, F1174-2641, 4-(4-((4-fluorobenzyl)oxy)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-{4-[(4-fluorophenyl)methoxy]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C26H25FN2O2 |
|---|---|
| Molecular Weight | 416.19 g/mol |
| LogP | 5.53228 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.19 |
| Heavy Atoms | 31 |
| Complexity | 1119.4921 |
Chemical Identifiers
| CAS Number | 379246-66-9 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OCC4=CC=C(C=C4)F)C#N |
Product Overview
UPCMLD0ENAT0513-8524:001 (CAS 379246-66-9), with molecular formula C26H25FN2O2 and molecular weight 416.19 g/mol. IUPAC: 4-[4-[(4-fluorophenyl)methoxy]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT0513-8524:001
Property Insights of UPCMLD0ENAT0513-8524:001
The XLogP value of 5.53228 indicates that UPCMLD0ENAT0513-8524:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0513-8524:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-8524:001 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-8524:001?
The CAS number of UPCMLD0ENAT0513-8524:001 is 379246-66-9.
What is the molecular formula of UPCMLD0ENAT0513-8524:001?
The molecular formula of UPCMLD0ENAT0513-8524:001 is C26H25FN2O2.
What is the molecular weight of UPCMLD0ENAT0513-8524:001?
The molecular weight of UPCMLD0ENAT0513-8524:001 is 416.19 g/mol.
Where can I buy UPCMLD0ENAT0513-8524:001?
You can request a quote for UPCMLD0ENAT0513-8524:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-8524:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-8524:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.