BAS 04363563
TL;DR: BAS 04363563 (CAS 459822-57-2) is a chemical compound with molecular formula C21H30N2O3S and molecular weight 390.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-benzylpiperazin-1-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Also Known As: BAS 04363563, VU0512804-1, F3179-0318, 1-{[(4-benzylpiperazin-1-yl)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-one, 4-[(4-benzylpiperazin-1-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one
| Molecular Formula | C21H30N2O3S |
|---|---|
| Molecular Weight | 390.20 g/mol |
| LogP | 2.5294 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.19772 |
| Heavy Atoms | 27 |
| Complexity | 813.0883 |
Chemical Identifiers
| CAS Number | 459822-57-2 |
|---|---|
| SMILES | CC1(C2CCC1(C(=O)C2)CS(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)C |
Product Overview
BAS 04363563 (CAS 459822-57-2), with molecular formula C21H30N2O3S and molecular weight 390.20 g/mol. IUPAC: 1-[(4-benzylpiperazin-1-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one.
Chemical Property Profile of BAS 04363563
Property Insights of BAS 04363563
The XLogP value of 2.5294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 04363563. With a topological polar surface area (TPSA) of 57.69 Ų, BAS 04363563 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 04363563 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 04363563?
The CAS number of BAS 04363563 is 459822-57-2.
What is the molecular formula of BAS 04363563?
The molecular formula of BAS 04363563 is C21H30N2O3S.
What is the molecular weight of BAS 04363563?
The molecular weight of BAS 04363563 is 390.20 g/mol.
Where can I buy BAS 04363563?
You can request a quote for BAS 04363563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04363563?
Yes, KEHONG BIO provides custom synthesis services for BAS 04363563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.