AB01305642-01
TL;DR: AB01305642-01 (CAS 849825-53-2) is a chemical compound with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AB01305642-01, methyl 2-({[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetyl}amino)benzoate, methyl 2-(2-((2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)thio)acetamido)benzoate, methyl 2-[[2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H19N3O4S |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 4.4558 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 421.10962 |
| Heavy Atoms | 30 |
| Complexity | 1251.8374 |
Chemical Identifiers
| CAS Number | 849825-53-2 |
|---|---|
| SMILES | CCC1=NC2=C(C(=N1)SCC(=O)NC3=CC=CC=C3C(=O)OC)OC4=CC=CC=C42 |
Product Overview
AB01305642-01 (CAS 849825-53-2), with molecular formula C22H19N3O4S and molecular weight 421.11 g/mol. IUPAC: methyl 2-[[2-[(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AB01305642-01
Property Insights of AB01305642-01
The XLogP value of 4.4558 indicates that AB01305642-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AB01305642-01. Following Lipinski's Rule of Five, AB01305642-01 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 AB01305642-01?
The CAS number of AB01305642-01 is 849825-53-2.
What is the molecular formula of AB01305642-01?
The molecular formula of AB01305642-01 is C22H19N3O4S.
What is the molecular weight of AB01305642-01?
The molecular weight of AB01305642-01 is 421.11 g/mol.
Where can I buy AB01305642-01?
You can request a quote for AB01305642-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB01305642-01?
Yes, KEHONG BIO provides custom synthesis services for AB01305642-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.