LNK754
TL;DR: LNK754 (CAS 439153-64-7) is a chemical compound with molecular formula C24H22N2O7S and molecular weight 482.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
Also Known As: LNK754, BAS 02496071, Methyl 2-(benzo[d][1,3]dioxole-5-carboxamido)-5-((2-ethoxyphenyl)carbamoyl)-4-methylthiophene-3-carboxylate, 2-[(Benzo[1,3]dioxole-5-carbonyl)-amino]-5-(2-ethoxy-phenylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester, methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C24H22N2O7S |
|---|---|
| Molecular Weight | 482.11 g/mol |
| LogP | 4.47512 |
| Topological Polar Surface Area | 112.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.11478 |
| Heavy Atoms | 34 |
| Complexity | 1268.2025 |
Chemical Identifiers
| CAS Number | 439153-64-7 |
|---|---|
| SMILES | CCOC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC)C |
Product Overview
LNK754 (CAS 439153-64-7), with molecular formula C24H22N2O7S and molecular weight 482.11 g/mol. IUPAC: methyl 2-(1,3-benzodioxole-5-carbonylamino)-5-[(2-ethoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of LNK754
Property Insights of LNK754
The XLogP value of 4.47512 indicates that LNK754 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.19 Ų falls within the moderate polarity range, balancing permeability and solubility for LNK754. Following Lipinski's Rule of Five, LNK754 has 2 hydrogen bond donor(s) and 8 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 LNK754?
The CAS number of LNK754 is 439153-64-7.
What is the molecular formula of LNK754?
The molecular formula of LNK754 is C24H22N2O7S.
What is the molecular weight of LNK754?
The molecular weight of LNK754 is 482.11 g/mol.
Where can I buy LNK754?
You can request a quote for LNK754 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for LNK754?
Yes, KEHONG BIO provides custom synthesis services for LNK754 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.