UPCMLD0ENAT5891817:001
TL;DR: UPCMLD0ENAT5891817:001 (CAS 442865-28-3) is a chemical compound with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: UPCMLD0ENAT5891817:001, AF-399/40921000, ethyl 2-(2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F1174-0575, ethyl 6-methyl-2-(2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H22N4O3S2 |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 3.8231 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.11334 |
| Heavy Atoms | 29 |
| Complexity | 1059.3595 |
Chemical Identifiers
| CAS Number | 442865-28-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CSC3=NN=C4N3C=CC=C4 |
Product Overview
UPCMLD0ENAT5891817:001 (CAS 442865-28-3), with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol. IUPAC: ethyl 6-methyl-2-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of UPCMLD0ENAT5891817:001
Property Insights of UPCMLD0ENAT5891817:001
The XLogP value of 3.8231 indicates that UPCMLD0ENAT5891817:001 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 UPCMLD0ENAT5891817:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5891817:001 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5891817:001?
The CAS number of UPCMLD0ENAT5891817:001 is 442865-28-3.
What is the molecular formula of UPCMLD0ENAT5891817:001?
The molecular formula of UPCMLD0ENAT5891817:001 is C20H22N4O3S2.
What is the molecular weight of UPCMLD0ENAT5891817:001?
The molecular weight of UPCMLD0ENAT5891817:001 is 430.11 g/mol.
Where can I buy UPCMLD0ENAT5891817:001?
You can request a quote for UPCMLD0ENAT5891817:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5891817:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5891817:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.