UPCMLD0ENAT0505-2166:001
TL;DR: UPCMLD0ENAT0505-2166:001 (CAS 307513-75-3) is a chemical compound with molecular formula C18H18N4O5S2 and molecular weight 434.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 3-methyl-5-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate
Also Known As: UPCMLD0ENAT0505-2166:001, AF-399/13909126, 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 3-methyl-5-{[([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino}-2,4-thiophenedicarboxylate, ethyl 2-(2-(4-hydro-1,2,4-triazolo[4,5-a]pyridin-3-ylthio)acetylamino)-5-(meth oxycarbonyl)-4-methylthiophene-3-carboxylate
| Molecular Formula | C18H18N4O5S2 |
|---|---|
| Molecular Weight | 434.07 g/mol |
| LogP | 2.79332 |
| Topological Polar Surface Area | 111.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.07187 |
| Heavy Atoms | 29 |
| Complexity | 1075.576 |
Chemical Identifiers
| CAS Number | 307513-75-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CSC2=NN=C3N2C=CC=C3 |
Product Overview
UPCMLD0ENAT0505-2166:001 (CAS 307513-75-3), with molecular formula C18H18N4O5S2 and molecular weight 434.07 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 3-methyl-5-[[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate.
Chemical Property Profile of UPCMLD0ENAT0505-2166:001
Property Insights of UPCMLD0ENAT0505-2166:001
The XLogP value of 2.79332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for UPCMLD0ENAT0505-2166:001. The TPSA of 111.89 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT0505-2166:001. Following Lipinski's Rule of Five, UPCMLD0ENAT0505-2166:001 has 1 hydrogen bond donor(s) and 9 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 UPCMLD0ENAT0505-2166:001?
The CAS number of UPCMLD0ENAT0505-2166:001 is 307513-75-3.
What is the molecular formula of UPCMLD0ENAT0505-2166:001?
The molecular formula of UPCMLD0ENAT0505-2166:001 is C18H18N4O5S2.
What is the molecular weight of UPCMLD0ENAT0505-2166:001?
The molecular weight of UPCMLD0ENAT0505-2166:001 is 434.07 g/mol.
Where can I buy UPCMLD0ENAT0505-2166:001?
You can request a quote for UPCMLD0ENAT0505-2166:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0505-2166:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0505-2166:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.