BAS 09621404
TL;DR: BAS 09621404 (CAS 613655-83-7) is a chemical compound with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
Also Known As: BAS 09621404, VU0494290-2, N-[4-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]acetamide, F3083-0143, N-[4-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
| Molecular Formula | C22H28ClN3O3 |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.18192 |
| Heavy Atoms | 29 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 613655-83-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CC(COC3=CC=C(C=C3)NC(=O)C)O |
| InChIKey | CQJWMVQUXRHEJA-UHFFFAOYSA-N |
Product Overview
BAS 09621404 (CAS 613655-83-7), with molecular formula C22H28ClN3O3 and molecular weight 417.18 g/mol. IUPAC: N-[4-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide.
Chemical Property Profile of BAS 09621404
Property Insights of BAS 09621404
The XLogP value of 3.1 indicates that BAS 09621404 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 09621404. Following Lipinski's Rule of Five, BAS 09621404 has 2 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 09621404?
The CAS number of BAS 09621404 is 613655-83-7.
What is the molecular formula of BAS 09621404?
The molecular formula of BAS 09621404 is C22H28ClN3O3.
What is the molecular weight of BAS 09621404?
The molecular weight of BAS 09621404 is 417.18 g/mol.
Where can I buy BAS 09621404?
You can request a quote for BAS 09621404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09621404?
Yes, KEHONG BIO provides custom synthesis services for BAS 09621404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.