UPCMLD0ENAT0513-4839:001
TL;DR: UPCMLD0ENAT0513-4839:001 (CAS 315707-65-4) is a chemical compound with molecular formula C21H24ClF3N2O and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone
Also Known As: UPCMLD0ENAT0513-4839:001, AF-399/15335218, 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone, 1-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(4-methyl-1-piperidinyl)ethanone, 1-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-(4-methylpiperidin-1-yl)ethan-1-one
| Molecular Formula | C21H24ClF3N2O |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 5.68094 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.15292 |
| Heavy Atoms | 28 |
| Complexity | 880.50635 |
Chemical Identifiers
| CAS Number | 315707-65-4 |
|---|---|
| SMILES | CC1CCN(CC1)CC(=O)C2=C(N(C(=C2)C)C3=CC(=C(C=C3)Cl)C(F)(F)F)C |
Product Overview
UPCMLD0ENAT0513-4839:001 (CAS 315707-65-4), with molecular formula C21H24ClF3N2O and molecular weight 412.15 g/mol. IUPAC: 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-(4-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of UPCMLD0ENAT0513-4839:001
Property Insights of UPCMLD0ENAT0513-4839:001
The XLogP value of 5.68094 indicates that UPCMLD0ENAT0513-4839:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.24 Ų, UPCMLD0ENAT0513-4839:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-4839:001 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-4839:001?
The CAS number of UPCMLD0ENAT0513-4839:001 is 315707-65-4.
What is the molecular formula of UPCMLD0ENAT0513-4839:001?
The molecular formula of UPCMLD0ENAT0513-4839:001 is C21H24ClF3N2O.
What is the molecular weight of UPCMLD0ENAT0513-4839:001?
The molecular weight of UPCMLD0ENAT0513-4839:001 is 412.15 g/mol.
Where can I buy UPCMLD0ENAT0513-4839:001?
You can request a quote for UPCMLD0ENAT0513-4839:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-4839:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-4839:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.