AB00122050-01
TL;DR: AB00122050-01 (CAS 433247-89-3) is a chemical compound with molecular formula C22H22N2O4S2 and molecular weight 442.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AB00122050-01, AP-064/40657132, N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(2,4-dimethoxyphenyl)-2-[(thiophen-2-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, N-(2,4-dimethoxyphenyl)-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C22H22N2O4S2 |
|---|---|
| Molecular Weight | 442.10 g/mol |
| LogP | 5.2102 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.1021 |
| Heavy Atoms | 30 |
| Complexity | 1073.2506 |
Chemical Identifiers
| CAS Number | 433247-89-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC=CS4)OC |
Product Overview
AB00122050-01 (CAS 433247-89-3), with molecular formula C22H22N2O4S2 and molecular weight 442.10 g/mol. IUPAC: N-(2,4-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AB00122050-01
Property Insights of AB00122050-01
The XLogP value of 5.2102 indicates that AB00122050-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00122050-01. Following Lipinski's Rule of Five, AB00122050-01 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00122050-01?
The CAS number of AB00122050-01 is 433247-89-3.
What is the molecular formula of AB00122050-01?
The molecular formula of AB00122050-01 is C22H22N2O4S2.
What is the molecular weight of AB00122050-01?
The molecular weight of AB00122050-01 is 442.10 g/mol.
Where can I buy AB00122050-01?
You can request a quote for AB00122050-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00122050-01?
Yes, KEHONG BIO provides custom synthesis services for AB00122050-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.