AB00685444-01
TL;DR: AB00685444-01 (CAS 403844-92-8) is a chemical compound with molecular formula C18H21N3O5S2 and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-methyl-5-(2-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate
Also Known As: AB00685444-01, F1016-0842, diethyl 3-methyl-5-(2-(pyrimidin-2-ylthio)propanamido)thiophene-2,4-dicarboxylate, Diethyl 3-methyl-5-(2-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate, 2,4-diethyl 3-methyl-5-[2-(pyrimidin-2-ylsulfanyl)propanamido]thiophene-2,4-dicarboxylate
| Molecular Formula | C18H21N3O5S2 |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 3.31922 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 423.09225 |
| Heavy Atoms | 28 |
| Complexity | 854.406 |
Chemical Identifiers
| CAS Number | 403844-92-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=NC=CC=N2 |
Product Overview
AB00685444-01 (CAS 403844-92-8), with molecular formula C18H21N3O5S2 and molecular weight 423.09 g/mol. IUPAC: diethyl 3-methyl-5-(2-pyrimidin-2-ylsulfanylpropanoylamino)thiophene-2,4-dicarboxylate.
Chemical Property Profile of AB00685444-01
Property Insights of AB00685444-01
The XLogP value of 3.31922 indicates that AB00685444-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685444-01. Following Lipinski's Rule of Five, AB00685444-01 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 AB00685444-01?
The CAS number of AB00685444-01 is 403844-92-8.
What is the molecular formula of AB00685444-01?
The molecular formula of AB00685444-01 is C18H21N3O5S2.
What is the molecular weight of AB00685444-01?
The molecular weight of AB00685444-01 is 423.09 g/mol.
Where can I buy AB00685444-01?
You can request a quote for AB00685444-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685444-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685444-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.