AN-988/40840098
TL;DR: AN-988/40840098 (CAS 428473-27-2) is a chemical compound with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AN-988/40840098, ethyl 2-({[(3-methylphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(3-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(3-methylbenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({[(3-methylbenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C20H22N2O3S2 |
|---|---|
| Molecular Weight | 402.11 g/mol |
| LogP | 4.23882 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.10718 |
| Heavy Atoms | 27 |
| Complexity | 889.34717 |
Chemical Identifiers
| CAS Number | 428473-27-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=CC(=C3)C |
Product Overview
AN-988/40840098 (CAS 428473-27-2), with molecular formula C20H22N2O3S2 and molecular weight 402.11 g/mol. IUPAC: ethyl 2-[(3-methylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AN-988/40840098
Property Insights of AN-988/40840098
The XLogP value of 4.23882 indicates that AN-988/40840098 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-988/40840098. Following Lipinski's Rule of Five, AN-988/40840098 has 2 hydrogen bond donor(s) and 5 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 AN-988/40840098?
The CAS number of AN-988/40840098 is 428473-27-2.
What is the molecular formula of AN-988/40840098?
The molecular formula of AN-988/40840098 is C20H22N2O3S2.
What is the molecular weight of AN-988/40840098?
The molecular weight of AN-988/40840098 is 402.11 g/mol.
Where can I buy AN-988/40840098?
You can request a quote for AN-988/40840098 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-988/40840098?
Yes, KEHONG BIO provides custom synthesis services for AN-988/40840098 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.