AB00108526-01
TL;DR: AB00108526-01 (CAS 428476-75-9) is a chemical compound with molecular formula C19H19N3O5S2 and molecular weight 433.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00108526-01, ethyl 2-(3-(2-nitrobenzoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Ethyl 2-[(2-nitrobenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, ethyl 2-({[(2-nitrophenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(2-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H19N3O5S2 |
|---|---|
| Molecular Weight | 433.08 g/mol |
| LogP | 3.8386 |
| Topological Polar Surface Area | 110.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.0766 |
| Heavy Atoms | 29 |
| Complexity | 986.21936 |
Chemical Identifiers
| CAS Number | 428476-75-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
AB00108526-01 (CAS 428476-75-9), with molecular formula C19H19N3O5S2 and molecular weight 433.08 g/mol. IUPAC: ethyl 2-[(2-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00108526-01
Property Insights of AB00108526-01
The XLogP value of 3.8386 indicates that AB00108526-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00108526-01. Following Lipinski's Rule of Five, AB00108526-01 has 2 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 AB00108526-01?
The CAS number of AB00108526-01 is 428476-75-9.
What is the molecular formula of AB00108526-01?
The molecular formula of AB00108526-01 is C19H19N3O5S2.
What is the molecular weight of AB00108526-01?
The molecular weight of AB00108526-01 is 433.08 g/mol.
Where can I buy AB00108526-01?
You can request a quote for AB00108526-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00108526-01?
Yes, KEHONG BIO provides custom synthesis services for AB00108526-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.