BAS 00334667
TL;DR: BAS 00334667 (CAS 80808-94-2) is a chemical compound with molecular formula C23H28N2O5S2 and molecular weight 476.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one
Also Known As: BAS 00334667, AE-848/31945032, 1,5-dimethyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one, 1,5-Dimethyl-3,7-bis-(toluene-4-sulfonyl)-3,7-diaza-bicyclo[3.3.1]nonan-9-one, 1,5-dimethyl-3,7-bis[(4-methylphenyl)sulfonyl]-3,7-diazabicyclo[3.3.1]nonan-9-one
| Molecular Formula | C23H28N2O5S2 |
|---|---|
| Molecular Weight | 476.14 g/mol |
| LogP | 2.59394 |
| Topological Polar Surface Area | 91.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.14395 |
| Heavy Atoms | 32 |
| Complexity | 1155.1718 |
Chemical Identifiers
| CAS Number | 80808-94-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CN(CC(C2)(C3=O)C)S(=O)(=O)C4=CC=C(C=C4)C)C |
Product Overview
BAS 00334667 (CAS 80808-94-2), with molecular formula C23H28N2O5S2 and molecular weight 476.14 g/mol. IUPAC: 1,5-dimethyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one.
Chemical Property Profile of BAS 00334667
Property Insights of BAS 00334667
The XLogP value of 2.59394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00334667. The TPSA of 91.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00334667. Following Lipinski's Rule of Five, BAS 00334667 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 00334667?
The CAS number of BAS 00334667 is 80808-94-2.
What is the molecular formula of BAS 00334667?
The molecular formula of BAS 00334667 is C23H28N2O5S2.
What is the molecular weight of BAS 00334667?
The molecular weight of BAS 00334667 is 476.14 g/mol.
Where can I buy BAS 00334667?
You can request a quote for BAS 00334667 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00334667?
Yes, KEHONG BIO provides custom synthesis services for BAS 00334667 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.