AO-080/41280669
TL;DR: AO-080/41280669 (CAS 361371-36-0) is a chemical compound with molecular formula C22H19N3OS2 and molecular weight 405.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2-(pyridin-4-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AO-080/41280669, 3-phenyl-2-(pyridin-4-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-phenyl-2-[(4-pyridinylmethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-phenyl-2-[(pyridin-4-ylmethyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-phenyl-2-[(pyridin-4-ylmethyl)thio]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C22H19N3OS2 |
|---|---|
| Molecular Weight | 405.10 g/mol |
| LogP | 5.0133 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.09695 |
| Heavy Atoms | 28 |
| Complexity | 1183.3591 |
Chemical Identifiers
| CAS Number | 361371-36-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCC5=CC=NC=C5 |
Product Overview
AO-080/41280669 (CAS 361371-36-0), with molecular formula C22H19N3OS2 and molecular weight 405.10 g/mol. IUPAC: 3-phenyl-2-(pyridin-4-ylmethylsulfanyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AO-080/41280669
Property Insights of AO-080/41280669
The XLogP value of 5.0133 indicates that AO-080/41280669 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, AO-080/41280669 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-080/41280669 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-080/41280669?
The CAS number of AO-080/41280669 is 361371-36-0.
What is the molecular formula of AO-080/41280669?
The molecular formula of AO-080/41280669 is C22H19N3OS2.
What is the molecular weight of AO-080/41280669?
The molecular weight of AO-080/41280669 is 405.10 g/mol.
Where can I buy AO-080/41280669?
You can request a quote for AO-080/41280669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-080/41280669?
Yes, KEHONG BIO provides custom synthesis services for AO-080/41280669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.