AF6B335MDG
TL;DR: AF6B335MDG (CAS 131779-32-3) is a chemical compound with molecular formula C24H32N4O3S and molecular weight 456.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-hydroxy-8-azaspiro[4.5]decane-7,9-dione
Also Known As: 8-(4-(4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)butyl)-2-hydroxy-8-azaspiro(4.5)decane-7,9-dione, 8-Azaspiro(4.5)decane-7,9-dione, 8-(4-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)butyl)-2-hydroxy-, 8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-2-hydroxy-8-aza-spiro[4.5]decane-7,9-dione (HCl), 8-[4-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]butyl]-2-hydroxy-8-azaspiro[4.5]decane-7,9-dione, 8-{4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl}-2-hydroxy-8-azaspiro[4.5]decane-7,9-dione
| Molecular Formula | C24H32N4O3S |
|---|---|
| Molecular Weight | 456.22 g/mol |
| LogP | 2.8787 |
| Topological Polar Surface Area | 76.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.2195 |
| Heavy Atoms | 32 |
| Complexity | 966.53455 |
Chemical Identifiers
| CAS Number | 131779-32-3 |
|---|---|
| SMILES | C1CC2(CC1O)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54 |
Product Overview
AF6B335MDG (CAS 131779-32-3), with molecular formula C24H32N4O3S and molecular weight 456.22 g/mol. IUPAC: 8-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-3-hydroxy-8-azaspiro[4.5]decane-7,9-dione.
Chemical Property Profile of AF6B335MDG
Property Insights of AF6B335MDG
The XLogP value of 2.8787 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF6B335MDG. The TPSA of 76.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AF6B335MDG. Following Lipinski's Rule of Five, AF6B335MDG has 1 hydrogen bond donor(s) and 7 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 AF6B335MDG?
The CAS number of AF6B335MDG is 131779-32-3.
What is the molecular formula of AF6B335MDG?
The molecular formula of AF6B335MDG is C24H32N4O3S.
What is the molecular weight of AF6B335MDG?
The molecular weight of AF6B335MDG is 456.22 g/mol.
Where can I buy AF6B335MDG?
You can request a quote for AF6B335MDG directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF6B335MDG?
Yes, KEHONG BIO provides custom synthesis services for AF6B335MDG and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.