BAS 07212982
TL;DR: BAS 07212982 (CAS 442654-90-2) is a chemical compound with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide
Also Known As: BAS 07212982, N-(1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide, N-(1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxooctahydro-2H-isoindol-2-yl)benzamide, N-(benzo[d]thiazol-2-yl)-3-(5-methyl-1,3-dioxohexahydro-1H-isoindol-2(3H)-yl)benzamide, N-Benzothiazol-2-yl-3-(5-methyl-1,3-dioxo-octahydro-isoindol-2-yl)-benzamide
| Molecular Formula | C23H21N3O3S |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 4.4742 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.13037 |
| Heavy Atoms | 30 |
| Complexity | 1138.2195 |
Chemical Identifiers
| CAS Number | 442654-90-2 |
|---|---|
| SMILES | CC1CCC2C(C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=NC5=CC=CC=C5S4 |
Product Overview
BAS 07212982 (CAS 442654-90-2), with molecular formula C23H21N3O3S and molecular weight 419.13 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)benzamide.
Chemical Property Profile of BAS 07212982
Property Insights of BAS 07212982
The XLogP value of 4.4742 indicates that BAS 07212982 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 BAS 07212982. Following Lipinski's Rule of Five, BAS 07212982 has 1 hydrogen bond donor(s) and 5 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 BAS 07212982?
The CAS number of BAS 07212982 is 442654-90-2.
What is the molecular formula of BAS 07212982?
The molecular formula of BAS 07212982 is C23H21N3O3S.
What is the molecular weight of BAS 07212982?
The molecular weight of BAS 07212982 is 419.13 g/mol.
Where can I buy BAS 07212982?
You can request a quote for BAS 07212982 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 07212982?
Yes, KEHONG BIO provides custom synthesis services for BAS 07212982 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.