AB00673478-01
TL;DR: AB00673478-01 (CAS 684231-61-6) is a chemical compound with molecular formula C18H12ClN3OS2 and molecular weight 385.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chlorophenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)prop-2-enamide
Also Known As: AB00673478-01, F1166-0009, (2E)-3-(2-chlorophenyl)-N-{11-methyl-3,12-dithia-5,10-diazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,10-pentaen-4-yl}prop-2-enamide, (E)-3-(2-chlorophenyl)-N-(7-methylbenzo[1,2-d:4,3-d']bis(thiazole)-2-yl)acrylamide, (E)-3-(2-chlorophenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)prop-2-enamide
| Molecular Formula | C18H12ClN3OS2 |
|---|---|
| Molecular Weight | 385.01 g/mol |
| LogP | 5.51972 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.01102 |
| Heavy Atoms | 25 |
| Complexity | 1129.969 |
Chemical Identifiers
| CAS Number | 684231-61-6 |
|---|---|
| SMILES | CC1=NC2=C(S1)C3=C(C=C2)N=C(S3)NC(=O)/C=C/C4=CC=CC=C4Cl |
Product Overview
AB00673478-01 (CAS 684231-61-6), with molecular formula C18H12ClN3OS2 and molecular weight 385.01 g/mol. IUPAC: (E)-3-(2-chlorophenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)prop-2-enamide.
Chemical Property Profile of AB00673478-01
Property Insights of AB00673478-01
The XLogP value of 5.51972 indicates that AB00673478-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00673478-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00673478-01 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 AB00673478-01?
The CAS number of AB00673478-01 is 684231-61-6.
What is the molecular formula of AB00673478-01?
The molecular formula of AB00673478-01 is C18H12ClN3OS2.
What is the molecular weight of AB00673478-01?
The molecular weight of AB00673478-01 is 385.01 g/mol.
Where can I buy AB00673478-01?
You can request a quote for AB00673478-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673478-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673478-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.