A2321/0097889
TL;DR: A2321/0097889 (CAS 357618-41-8) is a chemical compound with molecular formula C27H22N2O2S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: A2321/0097889, 2-(4-(naphthalen-1-ylmethoxy)phenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 2-[4-(1-naphthylmethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one, 2-[4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C27H22N2O2S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 6.2626 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.1402 |
| Heavy Atoms | 32 |
| Complexity | 1493.2198 |
Chemical Identifiers
| CAS Number | 357618-41-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC=C(C=C4)OCC5=CC=CC6=CC=CC=C65 |
Product Overview
A2321/0097889 (CAS 357618-41-8), with molecular formula C27H22N2O2S and molecular weight 438.14 g/mol. IUPAC: 2-[4-(naphthalen-1-ylmethoxy)phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of A2321/0097889
Property Insights of A2321/0097889
The XLogP value of 6.2626 indicates that A2321/0097889 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, A2321/0097889 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2321/0097889 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2321/0097889?
The CAS number of A2321/0097889 is 357618-41-8.
What is the molecular formula of A2321/0097889?
The molecular formula of A2321/0097889 is C27H22N2O2S.
What is the molecular weight of A2321/0097889?
The molecular weight of A2321/0097889 is 438.14 g/mol.
Where can I buy A2321/0097889?
You can request a quote for A2321/0097889 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2321/0097889?
Yes, KEHONG BIO provides custom synthesis services for A2321/0097889 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.