UPCMLD0ENAT0506-6487:001
TL;DR: UPCMLD0ENAT0506-6487:001 (CAS 378199-34-9) is a chemical compound with molecular formula C28H28N4OS and molecular weight 468.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone
Also Known As: UPCMLD0ENAT0506-6487:001, AJ-292/40763266, 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone, 2,2,4-trimethyl-4-phenyl-1-(((3-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl)acetyl)-1,2,3,4-tetrahydroquinoline, 2,2,4-trimethyl-4-phenyl-1-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}-1,2,3,4-tetrahydroquinoline
| Molecular Formula | C28H28N4OS |
|---|---|
| Molecular Weight | 468.20 g/mol |
| LogP | 6.0853 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.1984 |
| Heavy Atoms | 34 |
| Complexity | 1302.2627 |
Chemical Identifiers
| CAS Number | 378199-34-9 |
|---|---|
| SMILES | CC1(CC(C2=CC=CC=C2N1C(=O)CSC3=NNC(=N3)C4=CC=CC=C4)(C)C5=CC=CC=C5)C |
Product Overview
UPCMLD0ENAT0506-6487:001 (CAS 378199-34-9), with molecular formula C28H28N4OS and molecular weight 468.20 g/mol. IUPAC: 2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethanone.
Chemical Property Profile of UPCMLD0ENAT0506-6487:001
Property Insights of UPCMLD0ENAT0506-6487:001
The XLogP value of 6.0853 indicates that UPCMLD0ENAT0506-6487:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0506-6487:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0506-6487:001 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 UPCMLD0ENAT0506-6487:001?
The CAS number of UPCMLD0ENAT0506-6487:001 is 378199-34-9.
What is the molecular formula of UPCMLD0ENAT0506-6487:001?
The molecular formula of UPCMLD0ENAT0506-6487:001 is C28H28N4OS.
What is the molecular weight of UPCMLD0ENAT0506-6487:001?
The molecular weight of UPCMLD0ENAT0506-6487:001 is 468.20 g/mol.
Where can I buy UPCMLD0ENAT0506-6487:001?
You can request a quote for UPCMLD0ENAT0506-6487:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0506-6487:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0506-6487:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.