BAS 01022648
TL;DR: BAS 01022648 (CAS 52535-89-4) is a chemical compound with molecular formula C21H27N3OS and molecular weight 369.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
Also Known As: BAS 01022648, N-[3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide, N-{3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}benzamide, N~1~-{3-[(4-METHYLPIPERAZINO)METHYL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL}BENZAMIDE
| Molecular Formula | C21H27N3OS |
|---|---|
| Molecular Weight | 369.19 g/mol |
| LogP | 3.6266 |
| Topological Polar Surface Area | 35.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.18747 |
| Heavy Atoms | 26 |
| Complexity | 763.0634 |
Chemical Identifiers
| CAS Number | 52535-89-4 |
|---|---|
| SMILES | CN1CCN(CC1)CC2=C(SC3=C2CCCC3)NC(=O)C4=CC=CC=C4 |
Product Overview
BAS 01022648 (CAS 52535-89-4), with molecular formula C21H27N3OS and molecular weight 369.19 g/mol. IUPAC: N-[3-[(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide.
Chemical Property Profile of BAS 01022648
Property Insights of BAS 01022648
The XLogP value of 3.6266 indicates that BAS 01022648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.58 Ų, BAS 01022648 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01022648 has 1 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 01022648?
The CAS number of BAS 01022648 is 52535-89-4.
What is the molecular formula of BAS 01022648?
The molecular formula of BAS 01022648 is C21H27N3OS.
What is the molecular weight of BAS 01022648?
The molecular weight of BAS 01022648 is 369.19 g/mol.
Where can I buy BAS 01022648?
You can request a quote for BAS 01022648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01022648?
Yes, KEHONG BIO provides custom synthesis services for BAS 01022648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.