AB01295200-01
TL;DR: AB01295200-01 (CAS 722477-10-3) is a chemical compound with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-quinazolin-4-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB01295200-01, F0674-0087, ethyl 2-(2-(quinazolin-4-ylthio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ETHYL 2-[2-(QUINAZOLIN-4-YLSULFANYL)ACETAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-[(2-quinazolin-4-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H21N3O3S2 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 4.4776 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.10245 |
| Heavy Atoms | 29 |
| Complexity | 1059.256 |
Chemical Identifiers
| CAS Number | 722477-10-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC=NC4=CC=CC=C43 |
Product Overview
AB01295200-01 (CAS 722477-10-3), with molecular formula C21H21N3O3S2 and molecular weight 427.10 g/mol. IUPAC: ethyl 2-[(2-quinazolin-4-ylsulfanylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB01295200-01
Property Insights of AB01295200-01
The XLogP value of 4.4776 indicates that AB01295200-01 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 AB01295200-01. Following Lipinski's Rule of Five, AB01295200-01 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 AB01295200-01?
The CAS number of AB01295200-01 is 722477-10-3.
What is the molecular formula of AB01295200-01?
The molecular formula of AB01295200-01 is C21H21N3O3S2.
What is the molecular weight of AB01295200-01?
The molecular weight of AB01295200-01 is 427.10 g/mol.
Where can I buy AB01295200-01?
You can request a quote for AB01295200-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01295200-01?
Yes, KEHONG BIO provides custom synthesis services for AB01295200-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.