AB00686003-01
TL;DR: AB00686003-01 (CAS 500113-63-3) is a chemical compound with molecular formula C20H17N3OS2 and molecular weight 379.08 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-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
Also Known As: AB00686003-01, F1408-0457, 1-(2-methyl-1H-indol-3-yl)-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}ethan-1-one, 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(2-methyl-1H-indol-3-yl)ethanone, 1-(2-methyl-1H-indol-3-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone
| Molecular Formula | C20H17N3OS2 |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 4.94472 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.0813 |
| Heavy Atoms | 26 |
| Complexity | 1158.7511 |
Chemical Identifiers
| CAS Number | 500113-63-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC=NC4=C3C5=C(S4)CCC5 |
Product Overview
AB00686003-01 (CAS 500113-63-3), with molecular formula C20H17N3OS2 and molecular weight 379.08 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)ethanone.
Chemical Property Profile of AB00686003-01
Property Insights of AB00686003-01
The XLogP value of 4.94472 indicates that AB00686003-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, AB00686003-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00686003-01 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 AB00686003-01?
The CAS number of AB00686003-01 is 500113-63-3.
What is the molecular formula of AB00686003-01?
The molecular formula of AB00686003-01 is C20H17N3OS2.
What is the molecular weight of AB00686003-01?
The molecular weight of AB00686003-01 is 379.08 g/mol.
Where can I buy AB00686003-01?
You can request a quote for AB00686003-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686003-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686003-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.