AB00684140-01
TL;DR: AB00684140-01 (CAS 304683-99-6) is a chemical compound with molecular formula C21H19N3OS2 and molecular weight 393.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1H-indol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
Also Known As: AB00684140-01, 1-(2-methyl-1H-indol-3-yl)-2-((5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone, F0306-0441, 1-(2-methyl-1H-indol-3-yl)-2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraen-3-ylsulfanyl}ethan-1-one, 1-(2-methyl-1H-indol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone
| Molecular Formula | C21H19N3OS2 |
|---|---|
| Molecular Weight | 393.10 g/mol |
| LogP | 5.33482 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.09695 |
| Heavy Atoms | 27 |
| Complexity | 1175.0697 |
Chemical Identifiers
| CAS Number | 304683-99-6 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC=NC4=C3C5=C(S4)CCCC5 |
Product Overview
AB00684140-01 (CAS 304683-99-6), with molecular formula C21H19N3OS2 and molecular weight 393.10 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanone.
Chemical Property Profile of AB00684140-01
Property Insights of AB00684140-01
The XLogP value of 5.33482 indicates that AB00684140-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, AB00684140-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00684140-01 has 1 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 AB00684140-01?
The CAS number of AB00684140-01 is 304683-99-6.
What is the molecular formula of AB00684140-01?
The molecular formula of AB00684140-01 is C21H19N3OS2.
What is the molecular weight of AB00684140-01?
The molecular weight of AB00684140-01 is 393.10 g/mol.
Where can I buy AB00684140-01?
You can request a quote for AB00684140-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684140-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684140-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.