AB00677744-01
TL;DR: AB00677744-01 (CAS 890940-96-2) is a chemical compound with molecular formula C17H12N4S4 and molecular weight 399.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-amine
Also Known As: AB00677744-01, F2020-0080, 11-methyl-N-[6-(methylsulfanyl)-1,3-benzothiazol-2-yl]-3,12-dithia-5,10-diazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,10-pentaen-4-amine, 7-methyl-N-(6-(methylthio)benzo[d]thiazol-2-yl)benzo[1,2-d:4,3-d']bis(thiazole)-2-amine, 7-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-amine
| Molecular Formula | C17H12N4S4 |
|---|---|
| Molecular Weight | 399.99 g/mol |
| LogP | 6.28962 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.99448 |
| Heavy Atoms | 25 |
| Complexity | 1233.8638 |
Chemical Identifiers
| CAS Number | 890940-96-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC4=NC5=C(S4)C=C(C=C5)SC |
Product Overview
AB00677744-01 (CAS 890940-96-2), with molecular formula C17H12N4S4 and molecular weight 399.99 g/mol. IUPAC: 7-methyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-amine.
Chemical Property Profile of AB00677744-01
Property Insights of AB00677744-01
The XLogP value of 6.28962 indicates that AB00677744-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, AB00677744-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00677744-01 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00677744-01?
The CAS number of AB00677744-01 is 890940-96-2.
What is the molecular formula of AB00677744-01?
The molecular formula of AB00677744-01 is C17H12N4S4.
What is the molecular weight of AB00677744-01?
The molecular weight of AB00677744-01 is 399.99 g/mol.
Where can I buy AB00677744-01?
You can request a quote for AB00677744-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00677744-01?
Yes, KEHONG BIO provides custom synthesis services for AB00677744-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.