UPCMLD0ENAT0513-5198:001
TL;DR: UPCMLD0ENAT0513-5198:001 (CAS 442865-25-0) is a chemical compound with molecular formula C25H26N4O3S2 and molecular weight 494.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: UPCMLD0ENAT0513-5198:001, AF-399/40920966, ethyl 6-methyl-2-(2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F1174-0558, Ethyl 4,5,6,7-tetrahydro-6-methyl-2-[[2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]benzo[b]thiophene-3-carboxylate
| Molecular Formula | C25H26N4O3S2 |
|---|---|
| Molecular Weight | 494.14 g/mol |
| LogP | 5.28472 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 494.14462 |
| Heavy Atoms | 34 |
| Complexity | 1408.4392 |
Chemical Identifiers
| CAS Number | 442865-25-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NN=C4N3C5=CC=CC=C5C(=C4)C |
Product Overview
UPCMLD0ENAT0513-5198:001 (CAS 442865-25-0), with molecular formula C25H26N4O3S2 and molecular weight 494.14 g/mol. IUPAC: ethyl 6-methyl-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT0513-5198:001
Property Insights of UPCMLD0ENAT0513-5198:001
The XLogP value of 5.28472 indicates that UPCMLD0ENAT0513-5198:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0513-5198:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0513-5198:001 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0513-5198:001?
The CAS number of UPCMLD0ENAT0513-5198:001 is 442865-25-0.
What is the molecular formula of UPCMLD0ENAT0513-5198:001?
The molecular formula of UPCMLD0ENAT0513-5198:001 is C25H26N4O3S2.
What is the molecular weight of UPCMLD0ENAT0513-5198:001?
The molecular weight of UPCMLD0ENAT0513-5198:001 is 494.14 g/mol.
Where can I buy UPCMLD0ENAT0513-5198:001?
You can request a quote for UPCMLD0ENAT0513-5198:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0513-5198:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0513-5198:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.