BAS 05604446
TL;DR: BAS 05604446 (CAS 587013-09-0) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: BAS 05604446, A3426/0145337, 2-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione, 2-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, 2-(5-methoxybenzo[d]thiazol-2-yl)-5-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.1506 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 854.64056 |
Chemical Identifiers
| CAS Number | 587013-09-0 |
|---|---|
| SMILES | CC1=CCC2C(C1)C(=O)N(C2=O)C3=NC4=C(S3)C=CC(=C4)OC |
Product Overview
BAS 05604446 (CAS 587013-09-0), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: 2-(5-methoxy-1,3-benzothiazol-2-yl)-5-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione.
Chemical Property Profile of BAS 05604446
Property Insights of BAS 05604446
The XLogP value of 3.1506 indicates that BAS 05604446 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.5 Ų, BAS 05604446 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 05604446 has 0 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 05604446?
The CAS number of BAS 05604446 is 587013-09-0.
What is the molecular formula of BAS 05604446?
The molecular formula of BAS 05604446 is C17H16N2O3S.
What is the molecular weight of BAS 05604446?
The molecular weight of BAS 05604446 is 328.09 g/mol.
Where can I buy BAS 05604446?
You can request a quote for BAS 05604446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05604446?
Yes, KEHONG BIO provides custom synthesis services for BAS 05604446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.