UPCMLD0ENAT0509-9745:001
TL;DR: UPCMLD0ENAT0509-9745:001 (CAS 374693-56-8) is a chemical compound with molecular formula C22H17ClF3N5OS and molecular weight 491.08 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-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: UPCMLD0ENAT0509-9745:001, AF-399/40684288, 1-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethan-1-one, 1-{1-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-2,5-DIMETHYL-1H-PYRROL-3-YL}-2-[(1-PHENYL-1H-TETRAAZOL-5-YL)SULFANYL]ETHANONE, 1-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl}-2-(1-phenyl (1,2,3,4-tetraazol-5-ylthio))ethan-1-one
| Molecular Formula | C22H17ClF3N5OS |
|---|---|
| Molecular Weight | 491.08 g/mol |
| LogP | 5.71704 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.07944 |
| Heavy Atoms | 33 |
| Complexity | 1317.5652 |
Chemical Identifiers
| CAS Number | 374693-56-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)C(F)(F)F)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
UPCMLD0ENAT0509-9745:001 (CAS 374693-56-8), with molecular formula C22H17ClF3N5OS and molecular weight 491.08 g/mol. IUPAC: 1-[1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of UPCMLD0ENAT0509-9745:001
Property Insights of UPCMLD0ENAT0509-9745:001
The XLogP value of 5.71704 indicates that UPCMLD0ENAT0509-9745:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0509-9745:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0509-9745:001 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0509-9745:001?
The CAS number of UPCMLD0ENAT0509-9745:001 is 374693-56-8.
What is the molecular formula of UPCMLD0ENAT0509-9745:001?
The molecular formula of UPCMLD0ENAT0509-9745:001 is C22H17ClF3N5OS.
What is the molecular weight of UPCMLD0ENAT0509-9745:001?
The molecular weight of UPCMLD0ENAT0509-9745:001 is 491.08 g/mol.
Where can I buy UPCMLD0ENAT0509-9745:001?
You can request a quote for UPCMLD0ENAT0509-9745:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0509-9745:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0509-9745:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.