AS-871/40933437
TL;DR: AS-871/40933437 (CAS 379243-45-5) is a chemical compound with molecular formula C21H14N2O3S2 and molecular weight 406.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone
Also Known As: AS-871/40933437, 1-(1,3-benzodioxol-5-yl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethanone, 1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-(6-phenylthiopheno[3,2-e]pyrimidin-4-yl thio)ethan-1-one
| Molecular Formula | C21H14N2O3S2 |
|---|---|
| Molecular Weight | 406.04 g/mol |
| LogP | 5.062 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.0446 |
| Heavy Atoms | 28 |
| Complexity | 1174.9681 |
Chemical Identifiers
| CAS Number | 379243-45-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC=NC4=C3C=C(S4)C5=CC=CC=C5 |
Product Overview
AS-871/40933437 (CAS 379243-45-5), with molecular formula C21H14N2O3S2 and molecular weight 406.04 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone.
Chemical Property Profile of AS-871/40933437
Property Insights of AS-871/40933437
The XLogP value of 5.062 indicates that AS-871/40933437 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/40933437. Following Lipinski's Rule of Five, AS-871/40933437 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AS-871/40933437?
The CAS number of AS-871/40933437 is 379243-45-5.
What is the molecular formula of AS-871/40933437?
The molecular formula of AS-871/40933437 is C21H14N2O3S2.
What is the molecular weight of AS-871/40933437?
The molecular weight of AS-871/40933437 is 406.04 g/mol.
Where can I buy AS-871/40933437?
You can request a quote for AS-871/40933437 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/40933437?
Yes, KEHONG BIO provides custom synthesis services for AS-871/40933437 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.