BIM-0028416.P001
TL;DR: BIM-0028416.P001 (CAS 127140-92-5) is a chemical compound with molecular formula C17H17N3OS2 and molecular weight 343.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-benzyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: BIM-0028416.P001, 7-benzyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-benzyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one, 7-benzyl-2-methylsulfanyl-3,5,6,8-tetrahydropyrido[2,3]thieno[2,4-b]pyrimidin-4-one, 11-benzyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
| Molecular Formula | C17H17N3OS2 |
|---|---|
| Molecular Weight | 343.08 g/mol |
| LogP | 3.2648 |
| Topological Polar Surface Area | 48.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.0813 |
| Heavy Atoms | 23 |
| Complexity | 901.33765 |
Chemical Identifiers
| CAS Number | 127140-92-5 |
|---|---|
| SMILES | CSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1 |
Product Overview
BIM-0028416.P001 (CAS 127140-92-5), with molecular formula C17H17N3OS2 and molecular weight 343.08 g/mol. IUPAC: 11-benzyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of BIM-0028416.P001
Property Insights of BIM-0028416.P001
The XLogP value of 3.2648 indicates that BIM-0028416.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.99 Ų, BIM-0028416.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0028416.P001 has 1 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 BIM-0028416.P001?
The CAS number of BIM-0028416.P001 is 127140-92-5.
What is the molecular formula of BIM-0028416.P001?
The molecular formula of BIM-0028416.P001 is C17H17N3OS2.
What is the molecular weight of BIM-0028416.P001?
The molecular weight of BIM-0028416.P001 is 343.08 g/mol.
Where can I buy BIM-0028416.P001?
You can request a quote for BIM-0028416.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0028416.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0028416.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.