AB00672311-01
TL;DR: AB00672311-01 (CAS 394227-78-2) is a chemical compound with molecular formula C14H8BrN3OS3 and molecular weight 408.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
Also Known As: AB00672311-01, F0725-0045, 5-bromo-N-(7-methylbenzo[1,2-d:3,4-d']bis(thiazole)-2-yl)thiophene-2-carboxamide, 5-bromo-N-{11-methyl-3,10-dithia-5,12-diazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl}thiophene-2-carboxamide, 5-bromo-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
| Molecular Formula | C14H8BrN3OS3 |
|---|---|
| Molecular Weight | 408.90 g/mol |
| LogP | 5.29072 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.90128 |
| Heavy Atoms | 22 |
| Complexity | 1017.0402 |
Chemical Identifiers
| CAS Number | 394227-78-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=CC3=C2SC(=N3)NC(=O)C4=CC=C(S4)Br |
Product Overview
AB00672311-01 (CAS 394227-78-2), with molecular formula C14H8BrN3OS3 and molecular weight 408.90 g/mol. IUPAC: 5-bromo-N-(7-methyl-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide.
Chemical Property Profile of AB00672311-01
Property Insights of AB00672311-01
The XLogP value of 5.29072 indicates that AB00672311-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, AB00672311-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00672311-01 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00672311-01?
The CAS number of AB00672311-01 is 394227-78-2.
What is the molecular formula of AB00672311-01?
The molecular formula of AB00672311-01 is C14H8BrN3OS3.
What is the molecular weight of AB00672311-01?
The molecular weight of AB00672311-01 is 408.90 g/mol.
Where can I buy AB00672311-01?
You can request a quote for AB00672311-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672311-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672311-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.