AB00673961-01
TL;DR: AB00673961-01 (CAS 864938-88-5) is a chemical compound with molecular formula C21H13N3O3S2 and molecular weight 419.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzothiazol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
Also Known As: AB00673961-01, F1301-0346, 5-(benzo[d]thiazol-2-yl)-N-(2-methyl-1,3-dioxoisoindolin-5-yl)thiophene-2-carboxamide, 5-(1,3-benzothiazol-2-yl)-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)thiophene-2-carboxamide, 5-(1,3-benzothiazol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
| Molecular Formula | C21H13N3O3S2 |
|---|---|
| Molecular Weight | 419.04 g/mol |
| LogP | 4.5029 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.03983 |
| Heavy Atoms | 29 |
| Complexity | 1288.7174 |
Chemical Identifiers
| CAS Number | 864938-88-5 |
|---|---|
| SMILES | CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4 |
Product Overview
AB00673961-01 (CAS 864938-88-5), with molecular formula C21H13N3O3S2 and molecular weight 419.04 g/mol. IUPAC: 5-(1,3-benzothiazol-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide.
Chemical Property Profile of AB00673961-01
Property Insights of AB00673961-01
The XLogP value of 4.5029 indicates that AB00673961-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673961-01. Following Lipinski's Rule of Five, AB00673961-01 has 1 hydrogen bond donor(s) and 6 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 AB00673961-01?
The CAS number of AB00673961-01 is 864938-88-5.
What is the molecular formula of AB00673961-01?
The molecular formula of AB00673961-01 is C21H13N3O3S2.
What is the molecular weight of AB00673961-01?
The molecular weight of AB00673961-01 is 419.04 g/mol.
Where can I buy AB00673961-01?
You can request a quote for AB00673961-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673961-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673961-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.