BAS 02078650
TL;DR: BAS 02078650 (CAS 333443-80-4) is a chemical compound with molecular formula C18H20Cl2N2O3S and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dichloro-2-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)isoindole-1,3-dione
Also Known As: BAS 02078650, 5,6-dichloro-2-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)isoindole-1,3-dione, A2489/0105824, 5,6-dichloro-2-[3-(methylsulfanyl)-1-(1-piperidinylcarbonyl)propyl]-1H-isoindole-1,3(2H)-dione, 5,6-dichloro-2-[4-(methylsulfanyl)-1-oxo-1-(piperidin-1-yl)butan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione
| Molecular Formula | C18H20Cl2N2O3S |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 3.7236 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.05716 |
| Heavy Atoms | 26 |
| Complexity | 709.1969 |
Chemical Identifiers
| CAS Number | 333443-80-4 |
|---|---|
| SMILES | CSCCC(C(=O)N1CCCCC1)N2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl |
Product Overview
BAS 02078650 (CAS 333443-80-4), with molecular formula C18H20Cl2N2O3S and molecular weight 414.06 g/mol. IUPAC: 5,6-dichloro-2-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)isoindole-1,3-dione.
Chemical Property Profile of BAS 02078650
Property Insights of BAS 02078650
The XLogP value of 3.7236 indicates that BAS 02078650 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.69 Ų, BAS 02078650 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02078650 has 0 hydrogen bond donor(s) and 4 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 02078650?
The CAS number of BAS 02078650 is 333443-80-4.
What is the molecular formula of BAS 02078650?
The molecular formula of BAS 02078650 is C18H20Cl2N2O3S.
What is the molecular weight of BAS 02078650?
The molecular weight of BAS 02078650 is 414.06 g/mol.
Where can I buy BAS 02078650?
You can request a quote for BAS 02078650 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02078650?
Yes, KEHONG BIO provides custom synthesis services for BAS 02078650 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.