AP-906/41027434
TL;DR: AP-906/41027434 (CAS 433690-07-4) is a chemical compound with molecular formula C18H17ClN2OS and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-chlorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: AP-906/41027434, 3-(3-chlorobenzyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 3-[(3-chlorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one, 3-(3-chlorobenzyl)-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 3-[(3-chlorophenyl)methyl]-7-methyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3- d]pyrimidin-4-one
| Molecular Formula | C18H17ClN2OS |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 4.2845 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.075 |
| Heavy Atoms | 23 |
| Complexity | 943.83484 |
Chemical Identifiers
| CAS Number | 433690-07-4 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C=N3)CC4=CC(=CC=C4)Cl |
Product Overview
AP-906/41027434 (CAS 433690-07-4), with molecular formula C18H17ClN2OS and molecular weight 344.07 g/mol. IUPAC: 3-[(3-chlorophenyl)methyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of AP-906/41027434
Property Insights of AP-906/41027434
The XLogP value of 4.2845 indicates that AP-906/41027434 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, AP-906/41027434 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AP-906/41027434 has 0 hydrogen bond donor(s) and 3 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 AP-906/41027434?
The CAS number of AP-906/41027434 is 433690-07-4.
What is the molecular formula of AP-906/41027434?
The molecular formula of AP-906/41027434 is C18H17ClN2OS.
What is the molecular weight of AP-906/41027434?
The molecular weight of AP-906/41027434 is 344.07 g/mol.
Where can I buy AP-906/41027434?
You can request a quote for AP-906/41027434 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/41027434?
Yes, KEHONG BIO provides custom synthesis services for AP-906/41027434 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.