AS-871/41043942
TL;DR: AS-871/41043942 (CAS 496027-57-7) is a chemical compound with molecular formula C23H25N3O2S2 and molecular weight 439.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AS-871/41043942, 3-benzyl-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-benzyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C23H25N3O2S2 |
|---|---|
| Molecular Weight | 439.14 g/mol |
| LogP | 4.0996 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.13882 |
| Heavy Atoms | 30 |
| Complexity | 1130.796 |
Chemical Identifiers
| CAS Number | 496027-57-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CC=C4)SCC(=O)N5CCCC5 |
Product Overview
AS-871/41043942 (CAS 496027-57-7), with molecular formula C23H25N3O2S2 and molecular weight 439.14 g/mol. IUPAC: 3-benzyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AS-871/41043942
Property Insights of AS-871/41043942
The XLogP value of 4.0996 indicates that AS-871/41043942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, AS-871/41043942 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AS-871/41043942 has 0 hydrogen bond donor(s) and 5 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 AS-871/41043942?
The CAS number of AS-871/41043942 is 496027-57-7.
What is the molecular formula of AS-871/41043942?
The molecular formula of AS-871/41043942 is C23H25N3O2S2.
What is the molecular weight of AS-871/41043942?
The molecular weight of AS-871/41043942 is 439.14 g/mol.
Where can I buy AS-871/41043942?
You can request a quote for AS-871/41043942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/41043942?
Yes, KEHONG BIO provides custom synthesis services for AS-871/41043942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.