UPCMLD0ENAT0513-5912:001
TL;DR: UPCMLD0ENAT0513-5912:001 (CAS 379238-50-3) is a chemical compound with molecular formula C24H21ClN2O2 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: UPCMLD0ENAT0513-5912:001, AF-399/40862794, F1174-0951, 4-(4-((4-chlorobenzyl)oxy)phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
| Molecular Formula | C24H21ClN2O2 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 5.41048 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.12915 |
| Heavy Atoms | 29 |
| Complexity | 1043.7834 |
Chemical Identifiers
| CAS Number | 379238-50-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C#N |
Product Overview
UPCMLD0ENAT0513-5912:001 (CAS 379238-50-3), with molecular formula C24H21ClN2O2 and molecular weight 404.13 g/mol. IUPAC: 4-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT0513-5912:001
Property Insights of UPCMLD0ENAT0513-5912:001
The XLogP value of 5.41048 indicates that UPCMLD0ENAT0513-5912:001 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 UPCMLD0ENAT0513-5912:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-5912:001 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 UPCMLD0ENAT0513-5912:001?
The CAS number of UPCMLD0ENAT0513-5912:001 is 379238-50-3.
What is the molecular formula of UPCMLD0ENAT0513-5912:001?
The molecular formula of UPCMLD0ENAT0513-5912:001 is C24H21ClN2O2.
What is the molecular weight of UPCMLD0ENAT0513-5912:001?
The molecular weight of UPCMLD0ENAT0513-5912:001 is 404.13 g/mol.
Where can I buy UPCMLD0ENAT0513-5912:001?
You can request a quote for UPCMLD0ENAT0513-5912:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-5912:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-5912:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.