AB00742051-01
TL;DR: AB00742051-01 (CAS 871214-59-4) is a chemical compound with molecular formula C21H27N3O3 and molecular weight 369.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
Also Known As: AB00742051-01, 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethan-1-one, 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone, 3-acetyl-5-{2-[4-(3-methoxyphenyl)piperazinyl]acetyl}-2,4-dimethylpyrrole
| Molecular Formula | C21H27N3O3 |
|---|---|
| Molecular Weight | 369.21 g/mol |
| LogP | 2.84764 |
| Topological Polar Surface Area | 65.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.20523 |
| Heavy Atoms | 27 |
| Complexity | 848.35187 |
Chemical Identifiers
| CAS Number | 871214-59-4 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)C)C)C(=O)CN2CCN(CC2)C3=CC(=CC=C3)OC |
Product Overview
AB00742051-01 (CAS 871214-59-4), with molecular formula C21H27N3O3 and molecular weight 369.21 g/mol. IUPAC: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone.
Chemical Property Profile of AB00742051-01
Property Insights of AB00742051-01
The XLogP value of 2.84764 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00742051-01. The TPSA of 65.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00742051-01. Following Lipinski's Rule of Five, AB00742051-01 has 1 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 AB00742051-01?
The CAS number of AB00742051-01 is 871214-59-4.
What is the molecular formula of AB00742051-01?
The molecular formula of AB00742051-01 is C21H27N3O3.
What is the molecular weight of AB00742051-01?
The molecular weight of AB00742051-01 is 369.21 g/mol.
Where can I buy AB00742051-01?
You can request a quote for AB00742051-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00742051-01?
Yes, KEHONG BIO provides custom synthesis services for AB00742051-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.