AB00684928-01
TL;DR: AB00684928-01 (CAS 852366-83-7) is a chemical compound with molecular formula C22H23N3O3S2 and molecular weight 441.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-quinazolin-4-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00684928-01, F0674-0088, ethyl 2-(2-(quinazolin-4-ylthio)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-(2-quinazolin-4-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[2-(quinazolin-4-ylsulfanyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C22H23N3O3S2 |
|---|---|
| Molecular Weight | 441.12 g/mol |
| LogP | 4.8661 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.11807 |
| Heavy Atoms | 30 |
| Complexity | 1091.1714 |
Chemical Identifiers
| CAS Number | 852366-83-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)SC3=NC=NC4=CC=CC=C43 |
Product Overview
AB00684928-01 (CAS 852366-83-7), with molecular formula C22H23N3O3S2 and molecular weight 441.12 g/mol. IUPAC: ethyl 2-(2-quinazolin-4-ylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00684928-01
Property Insights of AB00684928-01
The XLogP value of 4.8661 indicates that AB00684928-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684928-01. Following Lipinski's Rule of Five, AB00684928-01 has 1 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 AB00684928-01?
The CAS number of AB00684928-01 is 852366-83-7.
What is the molecular formula of AB00684928-01?
The molecular formula of AB00684928-01 is C22H23N3O3S2.
What is the molecular weight of AB00684928-01?
The molecular weight of AB00684928-01 is 441.12 g/mol.
Where can I buy AB00684928-01?
You can request a quote for AB00684928-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684928-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684928-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.