AB00709984-01
TL;DR: AB00709984-01 (CAS 307513-65-1) is a chemical compound with molecular formula C23H20N4OS2 and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
Also Known As: AB00709984-01, F0745-0963, 1-[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]-2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}ethan-1-one, 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone, 2-(benzo[4,5]thiazolo[2,3-c][1,2,4]triazol-3-ylthio)-1-(2,5-dimethyl-1-(p-tolyl)-1H-pyrrol-3-yl)ethanone
| Molecular Formula | C23H20N4OS2 |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 5.63496 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.10785 |
| Heavy Atoms | 30 |
| Complexity | 1392.3995 |
Chemical Identifiers
| CAS Number | 307513-65-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4)C |
Product Overview
AB00709984-01 (CAS 307513-65-1), with molecular formula C23H20N4OS2 and molecular weight 432.11 g/mol. IUPAC: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone.
Chemical Property Profile of AB00709984-01
Property Insights of AB00709984-01
The XLogP value of 5.63496 indicates that AB00709984-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, AB00709984-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00709984-01 has 0 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 AB00709984-01?
The CAS number of AB00709984-01 is 307513-65-1.
What is the molecular formula of AB00709984-01?
The molecular formula of AB00709984-01 is C23H20N4OS2.
What is the molecular weight of AB00709984-01?
The molecular weight of AB00709984-01 is 432.11 g/mol.
Where can I buy AB00709984-01?
You can request a quote for AB00709984-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00709984-01?
Yes, KEHONG BIO provides custom synthesis services for AB00709984-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.