AO-081/40905628
TL;DR: AO-081/40905628 (CAS 384374-22-5) is a chemical compound with molecular formula C22H25N3O2S2 and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: AO-081/40905628, N,N-diethyl-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N,N-diethyl-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide, N,N-diethyl-2-((4-oxo-3-phenyl-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide
| Molecular Formula | C22H25N3O2S2 |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 4.2865 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.13882 |
| Heavy Atoms | 29 |
| Complexity | 1084.8707 |
Chemical Identifiers
| CAS Number | 384374-22-5 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC=C4 |
Product Overview
AO-081/40905628 (CAS 384374-22-5), with molecular formula C22H25N3O2S2 and molecular weight 427.14 g/mol. IUPAC: N,N-diethyl-2-[(4-oxo-3-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
Chemical Property Profile of AO-081/40905628
Property Insights of AO-081/40905628
The XLogP value of 4.2865 indicates that AO-081/40905628 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, AO-081/40905628 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-081/40905628 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 AO-081/40905628?
The CAS number of AO-081/40905628 is 384374-22-5.
What is the molecular formula of AO-081/40905628?
The molecular formula of AO-081/40905628 is C22H25N3O2S2.
What is the molecular weight of AO-081/40905628?
The molecular weight of AO-081/40905628 is 427.14 g/mol.
Where can I buy AO-081/40905628?
You can request a quote for AO-081/40905628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-081/40905628?
Yes, KEHONG BIO provides custom synthesis services for AO-081/40905628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.